A0A087XM39_POEFO Loading...

Xylosyltransferase 2

Catalyzes the first step in the biosynthesis of chondroitin sulfate, heparan sulfate and dermatan sulfate proteoglycans, such as DCN. Transfers D-xylose from UDP-D-xylose to specific serine residues of the core protein.

AlphaFold DB , UniProt , Accession A0A087XM39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 869 aa.

						>A0A087XM39_POEFO|A0A087XM39
MVASVRVQKLLRRYKLVISAALMILLIQGLVVWSLRSLEEGPPEGKTRRSKLPDPNSQDSKRDKANSLSGQNRGKWSTRFERQRGTAALPQRKGGNRRAAKPGVRQRTPQERGMTAGVDGAVSHDLSSSRRNFSLDGASKLQAAGIPGEPGSVDGAHQAPNGDFMPKCDIVGKDALSALHRAGSQQCRQEIANIVCQHQAGQLMPEALPQFCRQLGVSQPVQAAGDVEFSLSKVENPVRVAFVLMVHGRAVRQLRRLIKAIYHRDHYYYIHVDKRSGYMHREVLQIAEQYPNVRATPWRMVTIWGGASLLKAYLRSMQDLLTMQEWKWDFFINLSATDFPTRTNDELVMFLSMHRDKNFLKSHGRENARFIKKQGLDRLFHECDNHMWRLGERSIPEGLEVSGGSDWFALTRRFVDYVVGSRDQLVLGLKQFYTYALLPAESFFHTVLGNSHMCDTLVDNNLRITNWNRKLGCKCQYKHIVDWCGCSPNDFKPQDLIRIQQLTRPTFFARKFESTVNQEAIDILDTHLYGQYAPGTVAIKAYWESVFEQPDGVGSLSDVALTAYTSFFRLTLKGLMTSQSQTEACRFEPAGDPLSVHLYFYDDRFQGYLVRQEVRGVESKRKETLELWAMPQATLVFETNLKEFERLKNLEIGTDWDPKERIFRNFGGVIGPLDEPLAVQKWARGPNLTATIVWIDPAQVVAASYDITVEMDAEYTQYKPPLQHPLRPGAWTVRVLKQWKRVAEVRFLVMPLTFNNKEPLRREEDSWLHSGPPGNLYLDQSFQQLSSVLKLPPQEPAMQAARRAAQLVGRPLDAWVDSLVGAFWVIGDLCSAKTSSCSAVGLCTKTTWSSLSPDPKSELGPVKSDGRIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	52.1	Low	243 Å²	243	126.9 Å²	126.9	100%	1.197	67%	0.668	S	S	*	*				0	93.5	0	-70.6	174.6	-99.9	0	0	110.2
2	V	46.4	Very low	52.8	Low	121 Å²	121	133.8 Å²	133.8	73%	0.733	68%	0.678	S	S	*	*			trans	-133.9	-30.5	-176.4	-173.7	0	0	0	0	114.3	S4	V2-S4 PolarHBondContact O-N 3.36Å
3	A	41.7	Very low	53.5	Low	82 Å²	82	139.3 Å²	139.3	68%	0.678	69%	0.686	S	S	*	*	H	α-helix	trans	-63.1	-37.2	-174.8	0	0	0	0	0	115	V5	A3-V5 PolarHBondContact O-N 3.37Å
4	S	55.8	Low	54.3	Low	76 Å²	76	138.5 Å²	138.5	53%	0.531	67%	0.672	S	S	.	*	H	α-helix	trans	-59.6	-43.2	-171.5	-178.1	0	0	0	0	114.1	V2 R6 V7 Q8	V2-S4 PolarHBondContact O-N 3.36Å; S4-R6 PolarHBondContact O-N 3.26Å; S4-V7 PolarHBondContact O-N 3.36Å; S4-Q8 PolarHBondContact O-N 3.06Å
5	V	53.5	Low	55.1	Low	88 Å²	88	139.3 Å²	139.3	53%	0.533	67%	0.671	S	S	.	*	H	α-helix	trans	-68.9	-33	-169.9	-176.1	0	0	0	0	112.2	A3 K9	A3-V5 PolarHBondContact O-N 3.37Å; V5-K9 PolarHBondContact O-N 3.32Å; V5-K9 VanDerWaalsContact O-N 3.1Å
6	R	52.9	Low	56	Low	211 Å²	211	139.1 Å²	139.1	80%	0.796	67%	0.674	S	S	*	*	H	α-helix	trans	-68.6	-43	175.8	-76.4	-172.5	174.4	-173.3	-1.2	111.4	S4 K9 L10	S4-R6 PolarHBondContact O-N 3.26Å; R6-K9 PolarHBondContact O-N 2.98Å; R6-L10 PolarHBondContact O-N 3.1Å
7	V	58.5	Low	57	Low	87 Å²	87	136.2 Å²	136.2	53%	0.527	67%	0.666	S	S	.	*	H	α-helix	trans	-63.5	-43.6	177.9	-179.7	0	0	0	0	111.3	S4 K9 L10 L11	S4-V7 PolarHBondContact O-N 3.36Å; V7-K9 PolarHBondContact O-N 2.93Å; V7-L10 PolarHBondContact O-N 3.48Å; V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 PolarHBondContact O-N 3.05Å
8	Q	52.6	Low	58	Low	122 Å²	122	133.7 Å²	133.7	57%	0.57	66%	0.655	S	S	*	*	H	α-helix	trans	-64.6	-37.5	176.1	-72.6	-175.1	-16.8	0	0	113.3	S4 R12	S4-Q8 PolarHBondContact O-N 3.06Å; Q8-R12 PolarHBondContact O-N 3.07Å; Q8-R12 VanDerWaalsContact O-N 3.07Å
9	K	55.9	Low	58.7	Low	154 Å²	154	129.6 Å²	129.6	67%	0.67	64%	0.641	S	S	*	*	H	α-helix	trans	-66.9	-36.4	172.8	-84.5	-173.9	173	-179.5	0	112.4	V5 R6 V7 R13	V5-K9 PolarHBondContact O-N 3.32Å; V5-K9 VanDerWaalsContact O-N 3.1Å; R6-K9 PolarHBondContact O-N 2.98Å; V7-K9 PolarHBondContact O-N 2.93Å; K9-R13 PolarHBondContact O-N 3.23Å
10	L	56.4	Low	59.6	Low	109 Å²	109	125.6 Å²	125.6	57%	0.571	63%	0.63	S	S	*	*	H	α-helix	trans	-65.2	-50.2	175.1	-136.4	80.4	0	0	0	111.3	R6 V7 R12 R13 Y14	R6-L10 PolarHBondContact O-N 3.1Å; V7-L10 PolarHBondContact O-N 3.48Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.02Å; L10-R13 PolarHBondContact O-N 3.22Å; L10-Y14 HydrophobicContact CD2-CD2 4.49Å; L10-Y14 HydrophobicContact CD2-CE2 4.3Å; L10-Y14 HydrophobicContact CG-CD2 4.03Å; L10-Y14 HydrophobicContact CG-CE2 3.93Å; L10-Y14 WeakPolarHBondContact O-CD2 3.46Å; L10-Y14 PolarHBondContact O-N 2.97Å
11	L	53.7	Low	60.5	Low	103 Å²	103	121.9 Å²	121.9	54%	0.539	62%	0.618	S	S	.	*	H	α-helix	trans	-59	-35.2	177.5	-83.8	164.8	0	0	0	112.9	V7 K15	V7-L11 HydrophobicContact CG1-CD1 4.11Å; V7-L11 PolarHBondContact O-N 3.05Å; L11-K15 VanDerWaalsContact O-CB 3.26Å; L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 WeakPolarHBondContact O-CG 3.38Å; L11-K15 PolarHBondContact O-N 2.79Å
12	R	60.4	Low	62	Low	209 Å²	209	115 Å²	115	79%	0.789	59%	0.586	S	S	*	*	H	α-helix	trans	-67.5	-38	173.1	-80.1	-171.8	175.9	-168.4	-0.2	113.1	Q8 L10	Q8-R12 PolarHBondContact O-N 3.07Å; Q8-R12 VanDerWaalsContact O-N 3.07Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.02Å
13	R	62.1	Low	63.7	Low	206 Å²	206	114.5 Å²	114.5	78%	0.777	58%	0.577	S	S	*	*	H	α-helix	trans	-69.1	-46	176.2	-79.4	-173.2	168.5	-173.2	-4.4	112.3	K9 L10	K9-R13 PolarHBondContact O-N 3.23Å; L10-R13 PolarHBondContact O-N 3.22Å
14	Y	65.1	Low	65.6	Low	128 Å²	128	115.1 Å²	115.1	50%	0.502	57%	0.568	S	S	.	*	H	α-helix	trans	-79.9	-17.4	-177.8	-71.8	-75.5	0	0	0	114.3	L10 L16 V17 I18	L10-Y14 HydrophobicContact CD2-CD2 4.49Å; L10-Y14 HydrophobicContact CD2-CE2 4.3Å; L10-Y14 HydrophobicContact CG-CD2 4.03Å; L10-Y14 HydrophobicContact CG-CE2 3.93Å; L10-Y14 WeakPolarHBondContact O-CD2 3.46Å; L10-Y14 PolarHBondContact O-N 2.97Å; Y14-L16 VanDerWaalsContact C-N 3.3Å; Y14-L16 PolarHBondContact O-N 3.04Å; Y14-V17 PolarHBondContact O-N 3.29Å; Y14-V17 VanDerWaalsContact O-N 3.16Å; Y14-I18 WeakPolarHBondContact O-CB 3.05Å; Y14-I18 VanDerWaalsContact O-CG1 3.29Å; Y14-I18 WeakPolarHBondContact O-CG1 3.35Å; Y14-I18 PolarHBondContact O-N 2.98Å
15	K	66.3	Low	66.7	Low	151 Å²	151	116.7 Å²	116.7	66%	0.657	57%	0.57	S	S	*	*	H	α-helix	trans	-53.4	-43.7	177.4	-107.3	-171	174	-167.3	0	113.4	L11 S19	L11-K15 VanDerWaalsContact O-CB 3.26Å; L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 WeakPolarHBondContact O-CG 3.38Å; L11-K15 PolarHBondContact O-N 2.79Å; K15-S19 WeakPolarHBondContact O-CB 3.26Å; K15-S19 PolarHBondContact O-N 3.14Å; K15-S19 PolarHBondContact O-OG 3.12Å; K15-S19 VanDerWaalsContact O-OG 3.05Å
16	L	68.2	Low	68	Low	135 Å²	135	117.6 Å²	117.6	71%	0.707	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-43.8	178.6	-82.4	164.3	0	0	0	112.1	Y14 S19 A20	Y14-L16 VanDerWaalsContact C-N 3.3Å; Y14-L16 PolarHBondContact O-N 3.04Å; L16-S19 WeakPolarHBondContact CA-OG 3.26Å; L16-S19 PolarHBondContact O-N 2.83Å; L16-S19 PolarHBondContact O-OG 2.81Å; L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 2.85Å
17	V	73	Confident	69.3	Low	90 Å²	90	112 Å²	112	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-43.3	177.9	-176.4	0	0	0	0	111	Y14 A20 A21	Y14-V17 PolarHBondContact O-N 3.29Å; Y14-V17 VanDerWaalsContact O-N 3.16Å; V17-A20 PolarHBondContact O-N 3.18Å; V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 3.05Å
18	I	75.9	Confident	69.9	Low	92 Å²	92	113.1 Å²	113.1	47%	0.472	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-40.7	177.1	-67	165.9	0	0	0	110.7	Y14 A21 L22	Y14-I18 WeakPolarHBondContact O-CB 3.05Å; Y14-I18 VanDerWaalsContact O-CG1 3.29Å; Y14-I18 WeakPolarHBondContact O-CG1 3.35Å; Y14-I18 PolarHBondContact O-N 2.98Å; I18-A21 PolarHBondContact O-N 3.26Å; I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 WeakPolarHBondContact O-CB 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 3.16Å
19	S	70.8	Confident	70.8	Confident	56 Å²	56	109.3 Å²	109.3	39%	0.392	55%	0.548	S	S	.	.	H	α-helix	trans	-66.2	-35.5	173.7	56.5	0	0	0	0	112.9	K15 L16 M23	K15-S19 WeakPolarHBondContact O-CB 3.26Å; K15-S19 PolarHBondContact O-N 3.14Å; K15-S19 PolarHBondContact O-OG 3.12Å; K15-S19 VanDerWaalsContact O-OG 3.05Å; L16-S19 WeakPolarHBondContact CA-OG 3.26Å; L16-S19 PolarHBondContact O-N 2.83Å; L16-S19 PolarHBondContact O-OG 2.81Å; S19-M23 WeakPolarHBondContact O-CB 3.33Å; S19-M23 VanDerWaalsContact O-CG 3.26Å; S19-M23 WeakPolarHBondContact O-CG 3.45Å; S19-M23 PolarHBondContact O-N 2.72Å
20	A	76.3	Confident	71.3	Confident	49 Å²	49	106.8 Å²	106.8	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-67.5	-45.1	174.8	0	0	0	0	0	111.4	L16 V17 M23 I24	L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 2.85Å; V17-A20 PolarHBondContact O-N 3.18Å; A20-M23 PolarHBondContact O-N 2.99Å; A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.15Å
21	A	78.4	Confident	71.7	Confident	47 Å²	47	105.3 Å²	105.3	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.8	0	0	0	0	0	112.2	V17 I18 I24 L25	V17-A21 WeakPolarHBondContact O-CB 3.43Å; V17-A21 PolarHBondContact O-N 3.05Å; I18-A21 PolarHBondContact O-N 3.26Å; A21-I24 PolarHBondContact O-N 2.82Å; A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 2.91Å
22	L	78.9	Confident	72	Confident	100 Å²	100	104.9 Å²	104.9	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-65.6	-37.5	174.5	-76.3	168.7	0	0	0	112.5	I18 L25 L26	I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 WeakPolarHBondContact O-CB 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.47Å; I18-L22 PolarHBondContact O-N 3.16Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-L26 VanDerWaalsContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.91Å
23	M	80.4	Confident	71	Confident	110 Å²	110	103.9 Å²	103.9	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-41.4	173	-79.6	-67.7	-67.4	0	0	112	S19 A20 L26 I27	S19-M23 WeakPolarHBondContact O-CB 3.33Å; S19-M23 VanDerWaalsContact O-CG 3.26Å; S19-M23 WeakPolarHBondContact O-CG 3.45Å; S19-M23 PolarHBondContact O-N 2.72Å; A20-M23 PolarHBondContact O-N 2.99Å; M23-L26 PolarHBondContact O-N 3.36Å; M23-I27 WeakPolarHBondContact O-CB 3.29Å; M23-I27 WeakPolarHBondContact O-CD1 3.39Å; M23-I27 WeakPolarHBondContact O-CG1 3.45Å; M23-I27 PolarHBondContact O-N 3.44Å
24	I	82.7	Confident	70.1	Confident	95 Å²	95	97.4 Å²	97.4	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-44.8	175.9	-69.7	163.2	0	0	0	110.5	A20 A21 I27 Q28	A20-I24 VanDerWaalsContact O-CG1 3.29Å; A20-I24 WeakPolarHBondContact O-CG1 3.37Å; A20-I24 PolarHBondContact O-N 3.15Å; A21-I24 PolarHBondContact O-N 2.82Å; I24-I27 PolarHBondContact O-N 2.89Å; I24-Q28 HydrophobicContact CG2-CG 4.49Å; I24-Q28 WeakPolarHBondContact O-CB 3.1Å; I24-Q28 WeakPolarHBondContact O-CG 3.26Å; I24-Q28 PolarHBondContact O-N 2.89Å
25	L	78.8	Confident	68.9	Low	109 Å²	109	96.2 Å²	96.2	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-65.5	-37	175.9	-73.7	168.2	0	0	0	112.6	A21 L22 G29	A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 WeakPolarHBondContact O-CG 3.42Å; A21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 2.91Å; L25-G29 PolarHBondContact O-N 3.29Å
26	L	79.6	Confident	67.6	Low	106 Å²	106	97.9 Å²	97.9	56%	0.555	53%	0.525	S	S	*	.	H	α-helix	trans	-66.1	-41.6	172.5	-87.4	164	0	0	0	112	L22 M23 G29 L30	L22-L26 VanDerWaalsContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.27Å; L22-L26 PolarHBondContact O-N 2.91Å; M23-L26 PolarHBondContact O-N 3.36Å; L26-G29 PolarHBondContact O-N 2.92Å; L26-L30 VanDerWaalsContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CB 3.32Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.34Å
27	I	80.3	Confident	66	Low	95 Å²	95	95.6 Å²	95.6	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-45.3	176.3	-70.8	163.2	0	0	0	110.3	M23 I24 L30 V31	M23-I27 WeakPolarHBondContact O-CB 3.29Å; M23-I27 WeakPolarHBondContact O-CD1 3.39Å; M23-I27 WeakPolarHBondContact O-CG1 3.45Å; M23-I27 PolarHBondContact O-N 3.44Å; I24-I27 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-V31 HydrophobicContact CG2-CG2 4.49Å; I27-V31 WeakPolarHBondContact O-CB 3.31Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.4Å; I27-V31 PolarHBondContact O-N 2.91Å
28	Q	71.1	Confident	64.4	Low	110 Å²	110	97.8 Å²	97.8	51%	0.514	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-44	175	-74.3	175.1	-23.6	0	0	111.6	I24 V31 V32	I24-Q28 HydrophobicContact CG2-CG 4.49Å; I24-Q28 WeakPolarHBondContact O-CB 3.1Å; I24-Q28 WeakPolarHBondContact O-CG 3.26Å; I24-Q28 PolarHBondContact O-N 2.89Å; Q28-V31 PolarHBondContact O-N 2.87Å; Q28-V32 WeakPolarHBondContact O-CG2 3.34Å; Q28-V32 PolarHBondContact O-N 3.27Å
29	G	72.1	Confident	62.5	Low	41 Å²	41	101.4 Å²	101.4	42%	0.423	54%	0.543	S	S	.	.	H	α-helix	trans	-62.1	-42.9	175.1	0	0	0	0	0	113.1	L25 L26 V32 W33	L25-G29 PolarHBondContact O-N 3.29Å; L26-G29 PolarHBondContact O-N 2.92Å; G29-V32 PolarHBondContact O-N 3.34Å; G29-W33 VanDerWaalsContact O-CB 3.27Å; G29-W33 WeakPolarHBondContact O-CB 3.42Å; G29-W33 PolarHBondContact O-N 3.42Å
30	L	66.6	Low	60.8	Low	101 Å²	101	106.8 Å²	106.8	53%	0.529	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-37.7	175.6	-76.5	166.7	0	0	0	112.3	L26 I27 W33 S34	L26-L30 VanDerWaalsContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CB 3.32Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.34Å; I27-L30 PolarHBondContact O-N 3.27Å; L30-W33 HydrophobicContact CD2-CE3 4.4Å; L30-S34 WeakPolarHBondContact O-CB 3.18Å; L30-S34 PolarHBondContact O-N 3.4Å
31	V	64.9	Low	58.9	Low	79 Å²	79	107.6 Å²	107.6	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-47.7	174.1	167.3	0	0	0	0	110.6	I27 Q28 W33 S34 L35	I27-V31 HydrophobicContact CG2-CG2 4.49Å; I27-V31 WeakPolarHBondContact O-CB 3.31Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.4Å; I27-V31 PolarHBondContact O-N 2.91Å; Q28-V31 PolarHBondContact O-N 2.87Å; V31-W33 VanDerWaalsContact C-N 3.34Å; V31-W33 PolarHBondContact O-N 3.27Å; V31-S34 PolarHBondContact O-N 2.62Å; V31-L35 HydrophobicContact CG1-CD1 3.83Å; V31-L35 WeakPolarHBondContact O-CB 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.26Å; V31-L35 WeakPolarHBondContact O-CG 3.21Å; V31-L35 PolarHBondContact O-N 3.21Å
32	V	61.1	Low	56.8	Low	93 Å²	93	111.2 Å²	111.2	56%	0.564	60%	0.595	S	S	*	*	H	α-helix	trans	-62.5	-40.2	177	170.6	0	0	0	0	111.7	Q28 G29 L35 R36	Q28-V32 WeakPolarHBondContact O-CG2 3.34Å; Q28-V32 PolarHBondContact O-N 3.27Å; G29-V32 PolarHBondContact O-N 3.34Å; V32-L35 PolarHBondContact O-N 3.42Å; V32-R36 PolarHBondContact O-N 3.07Å
33	W	39	Very low	54.6	Low	189 Å²	189	112.4 Å²	112.4	72%	0.716	61%	0.608	S	S	*	*	H	α-helix	trans	-70.5	-40.4	177.7	-168	50.2	0	0	0	112.4	G29 L30 V31 L35 R36 S37	G29-W33 VanDerWaalsContact O-CB 3.27Å; G29-W33 WeakPolarHBondContact O-CB 3.42Å; G29-W33 PolarHBondContact O-N 3.42Å; L30-W33 HydrophobicContact CD2-CE3 4.4Å; V31-W33 VanDerWaalsContact C-N 3.34Å; V31-W33 PolarHBondContact O-N 3.27Å; W33-L35 VanDerWaalsContact C-N 3.32Å; W33-L35 PolarHBondContact O-N 2.96Å; W33-R36 PolarHBondContact O-N 3.47Å; W33-S37 WeakPolarHBondContact O-CB 3.27Å; W33-S37 PolarHBondContact O-N 3.41Å
34	S	43.5	Very low	52.3	Low	70 Å²	70	116.4 Å²	116.4	49%	0.49	63%	0.626	S	S	.	*	H	α-helix	trans	-63.5	-36.1	173.7	-175.1	0	0	0	0	112.3	L30 V31 L38	L30-S34 WeakPolarHBondContact O-CB 3.18Å; L30-S34 PolarHBondContact O-N 3.4Å; V31-S34 PolarHBondContact O-N 2.62Å; S34-L38 WeakPolarHBondContact O-CG 3.34Å
35	L	40.1	Very low	49.6	Very low	103 Å²	103	115 Å²	115	54%	0.539	64%	0.636	S	S	.	*	H	α-helix	trans	-71.3	-43.5	176.4	-73.1	167.7	0	0	0	111.5	V31 V32 W33 S37 L38	V31-L35 HydrophobicContact CG1-CD1 3.83Å; V31-L35 WeakPolarHBondContact O-CB 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.26Å; V31-L35 WeakPolarHBondContact O-CG 3.21Å; V31-L35 PolarHBondContact O-N 3.21Å; V32-L35 PolarHBondContact O-N 3.42Å; W33-L35 VanDerWaalsContact C-N 3.32Å; W33-L35 PolarHBondContact O-N 2.96Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 3.32Å; L35-L38 WeakPolarHBondContact O-CB 3.44Å; L35-L38 PolarHBondContact O-N 2.9Å
36	R	37.5	Very low	47.7	Very low	185 Å²	185	120 Å²	120	70%	0.698	65%	0.652	S	S	*	*	H	α-helix	trans	-58.4	-39.2	172.1	-101.7	-175.5	169.8	177	-2.7	112.7	V32 W33 L38 E39 E40	V32-R36 PolarHBondContact O-N 3.07Å; W33-R36 PolarHBondContact O-N 3.47Å; R36-L38 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact O-N 3.11Å; R36-E39 PolarHBondContact O-N 3.22Å; R36-E39 VanDerWaalsContact O-N 3.13Å; R36-E40 PolarHBondContact O-N 3.15Å
37	S	36.1	Very low	45.1	Very low	87 Å²	87	121.1 Å²	121.1	61%	0.608	66%	0.664	S	S	*	*	H	α-helix	trans	-69.2	-1.2	175.9	-168.5	0	0	0	0	114.6	W33 L35	W33-S37 WeakPolarHBondContact O-CB 3.27Å; W33-S37 PolarHBondContact O-N 3.41Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 3.32Å
38	L	37.6	Very low	43.1	Very low	137 Å²	137	128.6 Å²	128.6	72%	0.717	69%	0.686	S	S	*	*	H	α-helix	trans	-104.9	-10.5	172.2	-69.8	167.3	0	0	0	113.2	S34 L35 R36	S34-L38 WeakPolarHBondContact O-CG 3.34Å; L35-L38 WeakPolarHBondContact O-CB 3.44Å; L35-L38 PolarHBondContact O-N 2.9Å; R36-L38 PolarHBondContact O-N 3.48Å; R36-L38 VanDerWaalsContact O-N 3.11Å
39	E	38	Very low	40.9	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	71%	0.706	S	S	*	*	H	α-helix	trans	-91	-32.3	173.8	-64.1	-171	122.7	0	0	112.2	R36	R36-E39 PolarHBondContact O-N 3.22Å; R36-E39 VanDerWaalsContact O-N 3.13Å
40	E	34.2	Very low	38.7	Very low	169 Å²	169	138.5 Å²	138.5	79%	0.79	72%	0.723	S	S	*	*	S	Bend	trans	-92.5	107.5	174.1	-69.1	-173.7	-179.5	0	0	111.8	R36	R36-E40 PolarHBondContact O-N 3.15Å
41	G	36.1	Very low	36.9	Very low	66 Å²	66	143.5 Å²	143.5	68%	0.68	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-70	143.9	169.4	0	0	0	0	0	111.8
42	P	35	Very low	35.1	Very low	122 Å²	122	147.5 Å²	147.5	79%	0.792	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-68.1	140.8	-173.5	27.7	-35.3	0	0	0	112.5
43	P	31.9	Very low	33.5	Very low	125 Å²	125	148.6 Å²	148.6	81%	0.812	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-72.4	136.9	176.6	29.5	-34.3	0	0	0	111.8	G45	P43-G45 PolarHBondContact O-N 2.79Å
44	E	32.3	Very low	32.9	Very low	194 Å²	194	146.9 Å²	146.9	91%	0.907	77%	0.772	S	S	*	*			trans	-71.7	93.5	-178.7	-68.7	-169.2	148.2	0	0	112.7	K46	E44-K46 PolarHBondContact O-N 2.9Å
45	G	27.1	Very low	32	Very low	67 Å²	67	149.6 Å²	149.6	69%	0.691	79%	0.788	S	S	*	*			trans	-66.9	112.4	168.9	0	0	0	0	0	111.9	P43 T47	P43-G45 PolarHBondContact O-N 2.79Å; G45-T47 PolarHBondContact O-N 2.75Å
46	K	37.4	Very low	31.4	Very low	212 Å²	212	152.3 Å²	152.3	92%	0.922	80%	0.803	S	S	*	*			trans	-68.3	99.7	178.5	-69.6	-179.7	179.8	175.1	0	112.3	E44	E44-K46 PolarHBondContact O-N 2.9Å
47	T	25.5	Very low	30.9	Very low	130 Å²	130	149 Å²	149	80%	0.798	81%	0.809	S	S	*	*			trans	-124.9	126	160.3	37.7	0	0	0	0	111	G45 R49	G45-T47 PolarHBondContact O-N 2.75Å; T47-R49 PolarHBondContact O-N 3.27Å
48	R	38.3	Very low	30.5	Very low	252 Å²	252	154.2 Å²	154.2	95%	0.951	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.3	177.6	-75.7	171.9	163.5	170.3	-7.1	110.9
49	R	25	Very low	29.9	Very low	248 Å²	248	155.1 Å²	155.1	94%	0.936	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-100.7	133.1	145.7	-85.9	-173.5	167.1	-178.9	-3.9	108.7	T47	T47-R49 PolarHBondContact O-N 3.27Å
50	S	26.6	Very low	29.4	Very low	111 Å²	111	151 Å²	151	78%	0.776	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.2	154.7	-179.3	44.1	0	0	0	0	111.6
51	K	29.1	Very low	29	Very low	206 Å²	206	152.7 Å²	152.7	90%	0.896	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-55.7	138.5	167	-59.6	-178.3	177.9	-173.4	0	109.7
52	L	26	Very low	28.6	Very low	164 Å²	164	160.2 Å²	160.2	86%	0.859	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-95.1	149.8	154.5	-84.7	156	0	0	0	107.9
53	P	26.9	Very low	28.2	Very low	115 Å²	115	160.4 Å²	160.4	75%	0.747	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-89.7	156.3	-168.5	-4.3	24.6	0	0	0	113.5
54	D	26.9	Very low	28.1	Very low	153 Å²	153	163.3 Å²	163.3	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.5	134.2	167.6	-65.1	-71.1	0	0	0	111.6	N56	D54-N56 PolarHBondContact O-N 2.81Å; D54-N56 VanDerWaalsContact O-N 3.11Å
55	P	25.1	Very low	28	Very low	127 Å²	127	158.3 Å²	158.3	83%	0.825	82%	0.817	S	S	*	*	S	Bend	trans	-87.1	72.3	-179.4	35.5	-35.3	0	0	0	111.4
56	N	26.4	Very low	28	Very low	160 Å²	160	162 Å²	162	86%	0.856	82%	0.821	S	S	*	*			trans	-150.3	71.4	167.4	-131	-5	0	0	0	113.9	D54	D54-N56 PolarHBondContact O-N 2.81Å; D54-N56 VanDerWaalsContact O-N 3.11Å
57	S	27.8	Very low	27.4	Very low	117 Å²	117	156.2 Å²	156.2	82%	0.818	81%	0.807	S	S	*	*			trans	-146.4	120	160	56.9	0	0	0	0	109.8
58	Q	26.5	Very low	27.5	Very low	196 Å²	196	157.4 Å²	157.4	92%	0.916	81%	0.808	S	S	*	*			trans	-85.1	125.8	162.4	-70.8	-179.5	-20.9	0	0	108
59	D	26.6	Very low	27	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	80%	0.8	S	S	*	*				-159.3	-173.2	126.5	-142.3	-41.5	0	0	0	110
60	S	25.8	Very low	27	Very low	83 Å²	83	142.8 Å²	142.8	58%	0.58	80%	0.795	S	S	*	*			trans	-126.3	135.9	-147.1	56.5	0	0	0	0	113.8
61	K	26.8	Very low	27	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	80%	0.797	S	S	*	*			trans	175.6	169.1	132.1	-94.5	152	-166.7	169.6	0	113.5
62	R	26.8	Very low	27	Very low	224 Å²	224	141.3 Å²	141.3	85%	0.845	78%	0.783	S	S	*	*			trans	-59.1	164.5	176.1	-51.9	172.7	174.4	156.6	-3.7	111.1
63	D	28.1	Very low	27	Very low	126 Å²	126	144.6 Å²	144.6	67%	0.674	78%	0.784	S	S	*	*			cis	-162	-170.7	40.4	-131.5	-58	0	0	0	115.2
64	K	29	Very low	27	Very low	186 Å²	186	142.3 Å²	142.3	81%	0.809	78%	0.781	S	S	*	*			trans	-57.3	149.4	-164.8	-68.6	151.6	-176.8	173.4	0	122.1
65	A	29.5	Very low	27	Very low	88 Å²	88	142.9 Å²	142.9	73%	0.727	78%	0.776	S	S	*	*				92.5	139.8	125.5	0	0	0	0	0	125.1
66	N	28	Very low	26.9	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	77%	0.774	S	S	*	*			trans	64.7	93.5	140.2	-70.2	15.4	0	0	0	123.4
67	S	25.3	Very low	26.8	Very low	89 Å²	89	143.7 Å²	143.7	62%	0.622	77%	0.766	S	S	*	*				54	142	103.9	74.3	0	0	0	0	123.5
68	L	27.4	Very low	26.7	Very low	155 Å²	155	143.8 Å²	143.8	81%	0.812	76%	0.762	S	S	*	*			trans	88	111.7	146.3	-76.2	163.7	0	0	0	121.5
69	S	26.8	Very low	26.7	Very low	114 Å²	114	144 Å²	144	80%	0.797	75%	0.754	S	S	*	*			trans	52.1	136.1	131.2	67.7	0	0	0	0	122.6
70	G	26.1	Very low	26.6	Very low	80 Å²	80	143.6 Å²	143.6	83%	0.825	75%	0.746	S	S	*	*			trans	172	98.7	157.8	0	0	0	0	0	115.3
71	Q	27.1	Very low	26.6	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	75%	0.745	S	S	*	*			trans	-82.8	139.9	163.7	-66.2	175.4	-16.4	0	0	110.1
72	N	27.2	Very low	26.6	Very low	111 Å²	111	144.8 Å²	144.8	59%	0.594	74%	0.737	S	S	*	*				173.8	157.3	104.6	-99.6	-75.5	0	0	0	114.5
73	R	27.7	Very low	26.5	Very low	233 Å²	233	142 Å²	142	88%	0.879	73%	0.734	S	S	*	*			trans	31.9	131.8	143.6	-58.6	158.4	-166.6	-156.9	-3.6	119.2
74	G	25.8	Very low	26.4	Very low	67 Å²	67	147.5 Å²	147.5	69%	0.691	75%	0.745	S	S	*	*			cis	129.5	174.8	3.3	0	0	0	0	0	112.7
75	K	27.9	Very low	26.3	Very low	165 Å²	165	141.7 Å²	141.7	72%	0.717	74%	0.738	S	S	*	*			trans	67.6	158.5	-178.3	-68.3	176.2	161.1	-163.6	0	114.2
76	W	23.3	Very low	26.1	Very low	203 Å²	203	144.2 Å²	144.2	77%	0.769	74%	0.744	S	S	*	*			cis	-156.3	157.2	-6.8	-126.5	-32	0	0	0	110.1
77	S	24	Very low	26.1	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	75%	0.748	S	S	*	*			trans	66.7	153.5	148.7	77.1	0	0	0	0	117.9
78	T	25.6	Very low	26.2	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	76%	0.758	S	S	*	*			cis	-154.2	164.3	-11.3	-2.9	0	0	0	0	111.3
79	R	25.8	Very low	26.2	Very low	199 Å²	199	143 Å²	143	75%	0.751	76%	0.759	S	S	*	*			trans	3	148.1	136.2	-77.8	167.6	169	-176.3	-2.8	118.1
80	F	25.3	Very low	27	Very low	147 Å²	147	143 Å²	143	65%	0.645	76%	0.756	S	S	*	*			cis	-159.8	166.6	29.2	-115.6	-50.2	0	0	0	112.7
81	E	25.4	Very low	27.1	Very low	122 Å²	122	146 Å²	146	57%	0.57	75%	0.749	S	S	*	*			trans	14.9	153	135.3	-83.8	-175.6	122.4	0	0	122.6
82	R	26.1	Very low	27.3	Very low	191 Å²	191	147.3 Å²	147.3	72%	0.721	75%	0.746	S	S	*	*			cis	-169.8	172.2	-4.4	-141.5	177.4	-176.7	155.5	-13.5	109.5
83	Q	26.2	Very low	27.3	Very low	166 Å²	166	150.8 Å²	150.8	78%	0.776	76%	0.756	S	S	*	*			trans	64.3	170.5	155.5	-71.5	177.5	-5.8	0	0	118.2
84	R	25.8	Very low	27.2	Very low	241 Å²	241	143.8 Å²	143.8	91%	0.909	76%	0.756	S	S	*	*			cis	-169.6	141.4	-48.6	-155.4	-178.3	-164	-168.7	4	109
85	G	25.9	Very low	27.3	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	76%	0.757	S	S	*	*			trans	107.5	166	167.1	0	0	0	0	0	115.9
86	T	26.3	Very low	27.3	Very low	141 Å²	141	142.7 Å²	142.7	87%	0.865	76%	0.759	S	S	*	*			cis	-173.5	132.2	-24.1	14.2	0	0	0	0	109.9
87	A	27.3	Very low	27.7	Very low	104 Å²	104	142 Å²	142	86%	0.86	76%	0.756	S	S	*	*			trans	71	164.2	150.3	0	0	0	0	0	122.8
88	A	27.2	Very low	28.1	Very low	100 Å²	100	147.9 Å²	147.9	83%	0.826	76%	0.763	S	S	*	*			trans	82.3	97.3	157.9	0	0	0	0	0	122.2
89	L	28.2	Very low	28.4	Very low	162 Å²	162	146.5 Å²	146.5	85%	0.848	76%	0.764	S	S	*	*			trans	-69	162.7	137.5	-94.4	154.3	0	0	0	109.6
90	P	42.4	Very low	28.5	Very low	112 Å²	112	142.1 Å²	142.1	73%	0.727	77%	0.77	S	S	*	*				-161.1	163.7	56.9	43.6	-21.1	0	0	0	122.1
91	Q	29.5	Very low	28.8	Very low	144 Å²	144	145 Å²	145	67%	0.673	78%	0.782	S	S	*	*			trans	68.3	142.5	137.6	-83.2	-167.9	27.4	0	0	126.3
92	R	29.6	Very low	29.8	Very low	202 Å²	202	145.2 Å²	145.2	76%	0.762	79%	0.794	S	S	*	*			trans	76.9	154.2	147.3	-75	170.5	169.1	-178.8	-0.9	117.8
93	K	27.6	Very low	29.9	Very low	184 Å²	184	139.4 Å²	139.4	80%	0.8	79%	0.794	S	S	*	*			cis	-161.6	140.6	6.1	-135.2	174.4	-179.8	-175.6	0	113.4
94	G	25.7	Very low	30.1	Very low	86 Å²	86	137.4 Å²	137.4	89%	0.887	79%	0.793	S	S	*	*			trans	53.6	163.1	146.4	0	0	0	0	0	123.1
95	G	27.4	Very low	30.3	Very low	68 Å²	68	136.8 Å²	136.8	70%	0.701	79%	0.791	S	S	*	*			cis	158.8	160.8	-12.8	0	0	0	0	0	115.4
96	N	29.8	Very low	30.4	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	79%	0.794	S	S	*	*			trans	72.4	157.4	169.7	-67.7	-39.3	0	0	0	118.6
97	R	31.1	Very low	30.4	Very low	187 Å²	187	145.4 Å²	145.4	71%	0.706	79%	0.794	S	S	*	*			cis	-169.4	148.9	-11.4	-109.4	167.5	-170.7	-165.8	-1.1	112.6
98	R	31.4	Very low	30.3	Very low	224 Å²	224	146.7 Å²	146.7	85%	0.845	79%	0.792	S	S	*	*			trans	45.3	159.1	139.2	-66.7	179.1	178.3	-174.8	-2.5	122.2
99	A	32.3	Very low	31	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	78%	0.782	S	S	*	*			cis	-178.3	175.3	-22.6	0	0	0	0	0	112.1
100	A	29	Very low	31.1	Very low	107 Å²	107	146.4 Å²	146.4	88%	0.884	78%	0.777	S	S	*	*			trans	103	165.7	156.3	0	0	0	0	0	122.4
101	K	30.4	Very low	30.4	Very low	206 Å²	206	146.9 Å²	146.9	90%	0.896	77%	0.77	S	S	*	*			trans	-122.9	-172.8	-168.3	-73.9	-177.2	175.1	-178.9	0	111
102	P	46.4	Very low	30.2	Very low	127 Å²	127	150.8 Å²	150.8	83%	0.825	78%	0.778	S	S	*	*			cis	-128.6	-157.1	2.2	44.8	-26	0	0	0	113.3
103	G	28.7	Very low	30	Very low	69 Å²	69	144.4 Å²	144.4	71%	0.711	78%	0.775	S	S	*	*			cis	142.6	175.2	-13.8	0	0	0	0	0	115.4
104	V	31	Very low	29.9	Very low	125 Å²	125	144.4 Å²	144.4	76%	0.758	78%	0.78	S	S	*	*			trans	103.8	119.5	159	-176	0	0	0	0	122
105	R	29.7	Very low	29.9	Very low	228 Å²	228	146.6 Å²	146.6	86%	0.86	78%	0.777	S	S	*	*			trans	70.7	160.7	155.4	-77.8	169	-175.3	175.3	1.8	119.7
106	Q	27.1	Very low	29.9	Very low	155 Å²	155	148.2 Å²	148.2	72%	0.724	78%	0.783	S	S	*	*			cis	-152.1	136	18.9	-149.8	172.8	14.9	0	0	116.8
107	R	26.8	Very low	29.6	Very low	229 Å²	229	144.9 Å²	144.9	86%	0.864	78%	0.782	S	S	*	*			trans	50.7	155.5	145.5	-72.3	-176.6	169.8	170.5	-4.8	126.2
108	T	25.6	Very low	29.4	Very low	132 Å²	132	141.9 Å²	141.9	81%	0.81	79%	0.785	S	S	*	*			trans	-104.7	-166.2	179.7	49.5	0	0	0	0	110.6
109	P	42	Very low	29.1	Very low	95 Å²	95	139.1 Å²	139.1	62%	0.617	79%	0.787	S	S	*	*			cis	-148.3	-179.8	9.5	46.8	-26.8	0	0	0	119.8
110	Q	28.9	Very low	28.7	Very low	161 Å²	161	138.2 Å²	138.2	75%	0.752	79%	0.787	S	S	*	*			trans	56	162.6	140.3	-77.4	168.5	-89.1	0	0	121.1
111	E	27.7	Very low	28.5	Very low	122 Å²	122	137.6 Å²	137.6	57%	0.57	78%	0.781	S	S	*	*			cis	-155.6	163.3	8	-137	174.5	168.4	0	0	116.2
112	R	26.9	Very low	28.3	Very low	225 Å²	225	133.8 Å²	133.8	85%	0.849	78%	0.775	S	S	*	*			trans	17.6	143.9	150.7	-76.7	167.1	171.3	150.8	-15.2	125.3
113	G	25.4	Very low	27.2	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	77%	0.771	S	S	*	*			trans	153.6	120.8	153.9	0	0	0	0	0	110.5
114	M	24.9	Very low	27.1	Very low	184 Å²	184	137 Å²	137	91%	0.906	77%	0.772	S	S	*	*			cis	61.5	128.4	46.6	-70	-175.4	163.5	0	0	113
115	T	25.8	Very low	26.8	Very low	133 Å²	133	136.7 Å²	136.7	82%	0.816	77%	0.766	S	S	*	*			cis	-156.4	-170.5	13.7	-9.6	0	0	0	0	112.8
116	A	26.4	Very low	26.5	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	76%	0.761	S	S	*	*			trans	-51.3	170.1	170.9	0	0	0	0	0	114.5
117	G	24	Very low	26.3	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	76%	0.761	S	S	*	*			cis	-173.3	-152.2	10.9	0	0	0	0	0	108.8
118	V	26.1	Very low	26.2	Very low	125 Å²	125	123.9 Å²	123.9	76%	0.758	75%	0.752	S	S	*	*			cis	-171.6	148.5	-13.5	127.5	0	0	0	0	108.2
119	D	25.1	Very low	26.1	Very low	165 Å²	165	122.3 Å²	122.3	88%	0.882	75%	0.746	S	S	*	*			trans	58.4	164.3	168.2	-65.9	-13.6	0	0	0	122.2
120	G	25.3	Very low	25.4	Very low	74 Å²	74	129 Å²	129	76%	0.763	76%	0.759	S	S	*	*			trans	103	74.6	168.3	0	0	0	0	0	116.2
121	A	24.7	Very low	25.2	Very low	93 Å²	93	132.4 Å²	132.4	77%	0.769	77%	0.765	S	S	*	*			cis	86.4	110	49.6	0	0	0	0	0	115.9
122	V	25.8	Very low	25	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	77%	0.773	S	S	*	*			trans	60.1	113.2	148.9	-173.9	0	0	0	0	120.1
123	S	23.7	Very low	24.8	Very low	106 Å²	106	131 Å²	131	74%	0.741	77%	0.77	S	S	*	*				-176.7	131.6	116.5	28.1	0	0	0	0	113.2
124	H	26.3	Very low	24.6	Very low	158 Å²	158	132.5 Å²	132.5	73%	0.731	77%	0.77	S	S	*	*				36.1	146.2	119	-67	-81.2	0	0	0	120.6
125	D	23.6	Very low	24.5	Very low	119 Å²	119	130.5 Å²	130.5	64%	0.636	76%	0.762	S	S	*	*			cis	-158.1	177.1	14.7	-132.5	-6.4	0	0	0	115.2
126	L	23.8	Very low	24.4	Very low	144 Å²	144	131.4 Å²	131.4	75%	0.754	76%	0.762	S	S	*	*			trans	22.1	149.8	145.2	-63.2	166.5	0	0	0	121.1
127	S	22.7	Very low	24.2	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	76%	0.759	S	S	*	*			cis	176.1	175	-9.1	-177.8	0	0	0	0	109
128	S	24.7	Very low	24.2	Very low	95 Å²	95	132.1 Å²	132.1	66%	0.664	77%	0.768	S	S	*	*			trans	94.2	95.9	150.4	-153.2	0	0	0	0	121.3
129	S	25.1	Very low	24.2	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	77%	0.772	S	S	*	*				55	122.4	117.9	-41.3	0	0	0	0	121.7
130	R	25.9	Very low	24.2	Very low	234 Å²	234	133.8 Å²	133.8	88%	0.883	77%	0.772	S	S	*	*				-175.5	121.7	109.4	-98.7	161.2	-169.9	-155.7	4.1	115.2
131	R	26.1	Very low	24.2	Very low	233 Å²	233	138.5 Å²	138.5	88%	0.879	78%	0.779	S	S	*	*			trans	33.9	132.7	138.3	-54.5	-177.9	-173.9	-179.5	1.4	121.8
132	N	23.2	Very low	24.2	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	79%	0.785	S	S	*	*			trans	-36.8	156.7	154.5	-43.1	2.5	0	0	0	113.7
133	F	21.8	Very low	24.1	Very low	182 Å²	182	141.4 Å²	141.4	80%	0.798	78%	0.784	S	S	*	*				-172.1	153.3	55.3	-119.6	-76.1	0	0	0	112.1
134	S	21.9	Very low	24.3	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	79%	0.79	S	S	*	*			trans	64.6	158	156.9	-65.7	0	0	0	0	118.5
135	L	23.3	Very low	24.2	Very low	142 Å²	142	137.6 Å²	137.6	74%	0.743	79%	0.794	S	S	*	*			cis	-153.4	174.7	-8.1	-123.6	164.3	0	0	0	109.8
136	D	22.1	Very low	24.6	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	80%	0.803	S	S	*	*			trans	65.8	139.7	166	-63.3	-44.6	0	0	0	120.5
137	G	23.8	Very low	24.9	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	81%	0.806	S	S	*	*			trans	164.4	78.3	179.7	0	0	0	0	0	113.5
138	A	24.2	Very low	25.2	Very low	113 Å²	113	137.3 Å²	137.3	93%	0.934	81%	0.808	S	S	*	*			trans	-72.9	143.7	-178.6	0	0	0	0	0	113.2
139	S	24.9	Very low	25.4	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	82%	0.816	S	S	*	*			trans	-127.2	142.9	173.1	60.9	0	0	0	0	111.9
140	K	25.2	Very low	25.9	Very low	205 Å²	205	141.2 Å²	141.2	89%	0.891	81%	0.813	S	S	*	*			trans	-113.5	131.6	-179.7	-82.6	-178.1	175.6	175.8	0	111.7
141	L	25.1	Very low	26.6	Very low	173 Å²	173	131.7 Å²	131.7	91%	0.906	79%	0.787	S	S	*	*			trans	-3.4	120.2	150	-77.7	152.8	0	0	0	118.5
142	Q	24.4	Very low	27.1	Very low	191 Å²	191	123.4 Å²	123.4	89%	0.893	77%	0.765	S	S	*	*			trans	-151.8	154.1	139.1	-74.8	-164.8	12.6	0	0	107.7
143	A	24.6	Very low	27.9	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	77%	0.768	S	S	*	*			cis	-159.1	159.4	-25.7	0	0	0	0	0	107.6
144	A	26.8	Very low	28.3	Very low	105 Å²	105	120.5 Å²	120.5	87%	0.868	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.2	135	-173.3	0	0	0	0	0	113.7
145	G	25.8	Very low	29	Very low	79 Å²	79	119.5 Å²	119.5	81%	0.814	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-84.8	142.8	177.9	0	0	0	0	0	114.2
146	I	31.9	Very low	29.7	Very low	160 Å²	160	117.3 Å²	117.3	82%	0.821	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-85.7	142.6	175.8	-64.2	172.9	0	0	0	109.3	G148	I146-G148 PolarHBondContact O-N 3.22Å
147	P	30.1	Very low	30.3	Very low	127 Å²	127	119.1 Å²	119.1	83%	0.825	77%	0.773	S	S	*	*			trans	-64.7	114.9	-179.6	25.1	-35.3	0	0	0	112.8
148	G	27.3	Very low	31.1	Very low	74 Å²	74	124.6 Å²	124.6	76%	0.763	78%	0.779	S	S	*	*			trans	-89.4	-177.4	179	0	0	0	0	0	115.6	I146	I146-G148 PolarHBondContact O-N 3.22Å
149	E	30.6	Very low	31.8	Very low	179 Å²	179	123.6 Å²	123.6	84%	0.836	77%	0.771	S	S	*	*			trans	-72	153.9	-177.7	-72.6	-153.5	136.9	0	0	114.4	G151	E149-G151 PolarHBondContact O-N 2.93Å
150	P	35.2	Very low	33.3	Very low	96 Å²	96	123.1 Å²	123.1	62%	0.623	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	83.7	-172.5	32.2	-37	0	0	0	114.2	R389	P150-R389 PolarHBondContact O-NH1 2.78Å; P150-R389 PolarHBondContact O-NH2 3.41Å
151	G	40.4	Very low	34.1	Very low	34 Å²	34	121.4 Å²	121.4	35%	0.351	77%	0.765	S	S	.	*	T	Hydrogen-bonded Turn	trans	159.2	-18.8	159	0	0	0	0	0	117.4	E149	E149-G151 PolarHBondContact O-N 2.93Å
152	S	35.8	Very low	35.4	Very low	59 Å²	59	116 Å²	116	41%	0.413	75%	0.751	S	S	.	*			trans	-92.5	106.4	-179.5	-161.7	0	0	0	0	110.8	D154 K173	S152-D154 PolarHBondContact OG-OD2 2.79Å; S152-K173 PolarHBondContact OG-NZ 2.17Å
153	V	40.3	Very low	36.8	Very low	131 Å²	131	114.2 Å²	114.2	79%	0.794	75%	0.748	S	S	*	*			trans	-94.3	112.3	153.7	-91.3	0	0	0	0	107.5
154	D	30	Very low	38.6	Very low	127 Å²	127	112.6 Å²	112.6	68%	0.679	72%	0.724	S	S	*	*			trans	-91.5	123.7	175.4	-72	-65.4	0	0	0	109.5	S152 K173	S152-D154 PolarHBondContact OG-OD2 2.79Å; D154-K173 IonicContact OD1-NZ 2.75Å; D154-K173 PolarHBondContact OD1-NZ 2.31Å; D154-K173 IonicContact OD2-NZ 2.62Å
155	G	36.9	Very low	40.7	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	72%	0.722	S	S	*	*			trans	143.1	47.1	-170.9	0	0	0	0	0	113.3
156	A	37.8	Very low	43.2	Very low	97 Å²	97	114.3 Å²	114.3	80%	0.802	70%	0.7	S	S	*	*			trans	-87.8	110	-175.5	0	0	0	0	0	112.3
157	H	35.7	Very low	45.6	Very low	189 Å²	189	114.5 Å²	114.5	88%	0.875	69%	0.694	S	S	*	*			trans	-124.3	160.5	159.2	-78.2	-60.7	0	0	0	110.4
158	Q	41.1	Very low	48.5	Very low	190 Å²	190	110.2 Å²	110.2	89%	0.888	67%	0.667	S	S	*	*			trans	-74.4	145.2	-158	-66	166.8	-34.4	0	0	114
159	A	38.1	Very low	51.6	Low	93 Å²	93	113.3 Å²	113.3	77%	0.769	67%	0.666	S	S	*	*			trans	-125.1	97.4	166.4	0	0	0	0	0	110.2
160	P	56.5	Low	54.6	Low	109 Å²	109	105.8 Å²	105.8	71%	0.708	63%	0.632	S	S	*	*			trans	-94.9	126.6	170	33.5	-27.7	0	0	0	110.8
161	N	41.4	Very low	57.2	Low	169 Å²	169	106.7 Å²	106.7	90%	0.904	64%	0.635	S	S	*	*			trans	-161.6	114.3	163.5	-120.9	-15.2	0	0	0	111.9
162	G	52.3	Low	59.8	Low	59 Å²	59	106.7 Å²	106.7	61%	0.608	64%	0.635	S	S	*	*	S	Bend	trans	62.2	117.2	159.3	0	0	0	0	0	119.6	F164	G162-F164 VanDerWaalsContact C-N 3.32Å; G162-F164 PolarHBondContact O-N 3.49Å
163	D	53.8	Low	62.7	Low	154 Å²	154	109.4 Å²	109.4	82%	0.824	64%	0.64	S	S	*	*	S	Bend	trans	48.3	39.1	155.6	-70.7	9.4	0	0	0	117.8	Q185	D163-Q185 PolarHBondContact O-NE2 3.26Å
164	F	62.3	Low	65.4	Low	57 Å²	57	104.5 Å²	104.5	25%	0.25	61%	0.609	C	S	.	*			trans	-141.3	107.6	167.3	177.4	-126	0	0	0	111.5	G162 L179 R188 Q189 A192	G162-F164 VanDerWaalsContact C-N 3.32Å; G162-F164 PolarHBondContact O-N 3.49Å; F164-L179 HydrophobicContact CE1-CD2 4.01Å; F164-L179 HydrophobicContact CZ-CD2 3.97Å; F164-R188 HydrophobicContact CE1-CB 4.14Å; F164-R188 HydrophobicContact CZ-CB 4.24Å; F164-R188 WeakPolarHBondContact CZ-O 3.47Å; F164-Q189 HydrophobicContact CE2-CB 4.21Å; F164-A192 HydrophobicContact CE2-CB 3.99Å; F164-A192 HydrophobicContact CZ-CB 3.58Å
165	M	70.6	Confident	68.6	Low	165 Å²	165	98.5 Å²	98.5	81%	0.813	58%	0.577	S	S	*	*			trans	-115.3	123.5	168.4	-67.9	-164.4	73.6	0	0	109.9
166	P	78.3	Confident	71.4	Confident	55 Å²	55	98.9 Å²	98.9	36%	0.357	56%	0.56	S	S	.	*			trans	-68.4	153.7	170.8	31.2	-35.2	0	0	0	110.3	C168 I170 A192	P166-C168 PolarHBondContact O-N 3.5Å; P166-I170 HydrophobicContact CB-CD1 3.71Å; P166-I170 HydrophobicContact CB-CG1 4.19Å; P166-I170 HydrophobicContact CG-CD1 4.5Å; P166-A192 HydrophobicContact CB-CB 3.98Å
167	K	83.9	Confident	74.2	Confident	163 Å²	163	95.6 Å²	95.6	71%	0.709	53%	0.532	S	S	*	.	S	Bend	trans	-79.6	3.2	-179	-65.3	174.7	-179.5	162.6	0	113.7	N193	K167-N193 WeakPolarHBondContact CD-OD1 3.24Å; K167-N193 VanDerWaalsContact CE-OD1 3.26Å; K167-N193 WeakPolarHBondContact CE-OD1 3.29Å; K167-N193 PolarHBondContact NZ-OD1 3.32Å
168	C	91.2	Very high	77.2	Confident	37 Å²	37	86.6 Å²	86.6	25%	0.25	49%	0.49	C	S	.	.	S	Bend	trans	-163	167.3	-174.4	70	0	0	0	0	109.8	P166 I170 C196 Q199	P166-C168 PolarHBondContact O-N 3.5Å; C168-I170 PolarHBondContact O-N 2.85Å; C168-C196 HydrophobicContact CB-CB 3.85Å; C168-C196 WeakPolarHBondContact CB-SG 3.48Å; C168-C196 PolarHBondContact N-SG 2.83Å; C168-C196 VanDerWaalsContact N-SG 3.39Å; C168-C196 WeakPolarHBondContact SG-CA 3.41Å; C168-C196 WeakPolarHBondContact SG-CB 3.32Å; C168-C196 CovalentContact SG-SG 2.03Å; C168-C196 PolarHBondContact SG-SG 3.46Å; C168-Q199 PolarHBondContact SG-OE1 3.34Å
169	D	91.7	Very high	79.8	Confident	140 Å²	140	78.8 Å²	78.8	75%	0.749	45%	0.454	S	S	*	.			trans	-77.8	111.4	173.9	-63.4	-45	0	0	0	111.7	V171 Q199	D169-V171 PolarHBondContact O-N 3.35Å; D169-Q199 PolarHBondContact O-NE2 3.25Å
170	I	92.9	Very high	82.5	Confident	21 Å²	21	81.9 Å²	81.9	11%	0.108	45%	0.452	C	S	.	.			trans	-91.7	101.6	-179.3	-60.1	-178.4	0	0	0	109.3	P166 C168 A175 L176 L179 A192 V195	P166-I170 HydrophobicContact CB-CD1 3.71Å; P166-I170 HydrophobicContact CB-CG1 4.19Å; P166-I170 HydrophobicContact CG-CD1 4.5Å; C168-I170 PolarHBondContact O-N 2.85Å; I170-A175 HydrophobicContact CG2-CB 3.71Å; I170-L176 HydrophobicContact CG2-CD2 4.33Å; I170-L176 HydrophobicContact CG2-CG 4.42Å; I170-L176 WeakPolarHBondContact O-CD2 3.34Å; I170-L179 HydrophobicContact CD1-CD1 3.91Å; I170-L179 HydrophobicContact CG2-CD1 4.15Å; I170-A192 HydrophobicContact CD1-CB 3.51Å; I170-V195 HydrophobicContact CD1-CB 4.47Å; I170-V195 HydrophobicContact CD1-CG1 4.42Å; I170-V195 HydrophobicContact CG1-CG1 4.2Å; I170-V195 HydrophobicContact CG2-CG1 4.09Å
171	V	91.3	Very high	84.4	Confident	114 Å²	114	81.2 Å²	81.2	69%	0.691	44%	0.436	S	S	*	.			trans	-105.6	-8.3	-175.4	-62.8	0	0	0	0	114.5	D169	D169-V171 PolarHBondContact O-N 3.35Å
172	G	93.9	Very high	87	Confident	35 Å²	35	73.3 Å²	73.3	36%	0.361	39%	0.394	S	S	.	.			trans	-76.3	126.3	-176.4	0	0	0	0	0	112.9	D174 A175 L176	G172-D174 VanDerWaalsContact C-N 3.28Å; G172-D174 PolarHBondContact O-N 3.44Å; G172-A175 PolarHBondContact O-N 2.92Å; G172-L176 WeakPolarHBondContact O-CG 3.33Å; G172-L176 PolarHBondContact O-N 2.86Å
173	K	96.6	Very high	88.9	Confident	115 Å²	115	73.4 Å²	73.4	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-52.6	-42.8	179.3	-71	-159.6	-175.8	-168	0	113.2	S152 D154 L176 S177	S152-K173 PolarHBondContact OG-NZ 2.17Å; D154-K173 IonicContact OD1-NZ 2.75Å; D154-K173 PolarHBondContact OD1-NZ 2.31Å; D154-K173 IonicContact OD2-NZ 2.62Å; K173-L176 PolarHBondContact O-N 2.84Å; K173-S177 VanDerWaalsContact O-CB 3.27Å; K173-S177 WeakPolarHBondContact O-CB 3.32Å; K173-S177 PolarHBondContact O-N 3.35Å
174	D	96.7	Very high	90.9	Very high	28 Å²	28	67.9 Å²	67.9	15%	0.15	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-53.7	178.3	-82.4	-1.9	0	0	0	111.5	G172 L176 S177 A178 R389	G172-D174 VanDerWaalsContact C-N 3.28Å; G172-D174 PolarHBondContact O-N 3.44Å; D174-L176 PolarHBondContact O-N 3.3Å; D174-S177 WeakPolarHBondContact O-CB 3.4Å; D174-S177 PolarHBondContact O-N 3.49Å; D174-A178 PolarHBondContact O-N 2.84Å; D174-R389 CarbonylContact C-O 3.59Å; D174-R389 VanDerWaalsContact CG-NE 3.29Å; D174-R389 IonicContact OD1-CZ 3.51Å; D174-R389 IonicContact OD1-NE 3.07Å; D174-R389 PolarHBondContact OD1-NE 2.98Å; D174-R389 IonicContact OD1-NH2 3.33Å; D174-R389 PolarHBondContact OD1-NH2 3.07Å; D174-R389 IonicContact OD2-CZ 2.82Å; D174-R389 IonicContact OD2-NE 2.76Å; D174-R389 PolarHBondContact OD2-NE 3.03Å; D174-R389 IonicContact OD2-NH2 3.61Å
175	A	97	Very high	92.4	Very high	1 Å²	1	70 Å²	70	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-42.7	176.6	0	0	0	0	0	113.1	I170 G172 A178 L179 V195 L390	I170-A175 HydrophobicContact CG2-CB 3.71Å; G172-A175 PolarHBondContact O-N 2.92Å; A175-A178 PolarHBondContact O-N 2.7Å; A175-L179 WeakPolarHBondContact O-CB 3.47Å; A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.23Å; A175-L179 PolarHBondContact O-N 3.01Å; A175-V195 HydrophobicContact CB-CG1 4.21Å; A175-V195 HydrophobicContact CB-CG2 3.76Å; A175-L390 PolarHBondContact N-O 2.94Å
176	L	96.6	Very high	93.6	Very high	85 Å²	85	68.6 Å²	68.6	45%	0.445	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.7	-71.7	169.7	0	0	0	111.9	I170 G172 K173 D174 L179 H180	I170-L176 HydrophobicContact CG2-CD2 4.33Å; I170-L176 HydrophobicContact CG2-CG 4.42Å; I170-L176 WeakPolarHBondContact O-CD2 3.34Å; G172-L176 WeakPolarHBondContact O-CG 3.33Å; G172-L176 PolarHBondContact O-N 2.86Å; K173-L176 PolarHBondContact O-N 2.84Å; D174-L176 PolarHBondContact O-N 3.3Å; L176-L179 PolarHBondContact O-N 2.72Å; L176-H180 WeakPolarHBondContact O-CB 3.36Å; L176-H180 PolarHBondContact O-N 2.81Å
177	S	96.9	Very high	94.4	Very high	29 Å²	29	66 Å²	66	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-40.3	173.4	173.2	0	0	0	0	112.1	K173 D174 R181	K173-S177 VanDerWaalsContact O-CB 3.27Å; K173-S177 WeakPolarHBondContact O-CB 3.32Å; K173-S177 PolarHBondContact O-N 3.35Å; D174-S177 WeakPolarHBondContact O-CB 3.4Å; D174-S177 PolarHBondContact O-N 3.49Å; S177-R181 WeakPolarHBondContact O-CB 3.39Å; S177-R181 VanDerWaalsContact O-CG 3.3Å; S177-R181 WeakPolarHBondContact O-CG 3.48Å; S177-R181 PolarHBondContact O-N 3.41Å; S177-R181 PolarHBondContact O-NE 3.01Å; S177-R181 PolarHBondContact OG-NE 3.03Å; S177-R181 VanDerWaalsContact OG-NE 3.1Å; S177-R181 PolarHBondContact OG-NH2 3.49Å
178	A	97.3	Very high	95	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-46.2	175.1	0	0	0	0	0	111.9	D174 A175 H180 R181 A182 I191 W388 L390	D174-A178 PolarHBondContact O-N 2.84Å; A175-A178 PolarHBondContact O-N 2.7Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.16Å; A178-R181 PolarHBondContact O-N 2.83Å; A178-R181 VanDerWaalsContact O-N 3.15Å; A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.42Å; A178-I191 HydrophobicContact CB-CD1 4.17Å; A178-I191 HydrophobicContact CB-CG2 4.48Å; A178-W388 HydrophobicContact CB-CB 4.14Å; A178-W388 HydrophobicContact CB-CD2 4.35Å; A178-W388 HydrophobicContact CB-CE3 3.87Å; A178-L390 HydrophobicContact CB-CD2 3.89Å
179	L	96.3	Very high	95.2	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.131	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-37.4	177.7	-74.2	172.9	0	0	0	113.2	F164 I170 A175 L176 R188 I191 A192	F164-L179 HydrophobicContact CE1-CD2 4.01Å; F164-L179 HydrophobicContact CZ-CD2 3.97Å; I170-L179 HydrophobicContact CD1-CD1 3.91Å; I170-L179 HydrophobicContact CG2-CD1 4.15Å; A175-L179 WeakPolarHBondContact O-CB 3.47Å; A175-L179 VanDerWaalsContact O-CG 3.31Å; A175-L179 WeakPolarHBondContact O-CG 3.23Å; A175-L179 PolarHBondContact O-N 3.01Å; L176-L179 PolarHBondContact O-N 2.72Å; L179-R188 HydrophobicContact CD2-CB 4.06Å; L179-R188 HydrophobicContact CD2-CG 4.41Å; L179-R188 VanDerWaalsContact CD2-O 3.23Å; L179-R188 WeakPolarHBondContact CD2-O 3.46Å; L179-R188 VanDerWaalsContact O-CD 3.22Å; L179-R188 WeakPolarHBondContact O-CD 3.37Å; L179-I191 HydrophobicContact CD2-CB 3.91Å; L179-I191 HydrophobicContact CD2-CG2 3.64Å; L179-I191 HydrophobicContact CG-CG2 3.81Å; L179-A192 HydrophobicContact CD2-CB 4.48Å
180	H	95.4	Very high	95.4	Very high	158 Å²	158	59.1 Å²	59.1	73%	0.731	31%	0.312	S	S	*	.	H	α-helix	trans	-70.6	-32.4	176	-177.2	-68.8	0	0	0	112.8	L176 A178	L176-H180 WeakPolarHBondContact O-CB 3.36Å; L176-H180 PolarHBondContact O-N 2.81Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.16Å
181	R	96.4	Very high	95.6	Very high	95 Å²	95	58.1 Å²	58.1	36%	0.358	31%	0.307	S	S	.	.	H	α-helix	trans	-93.6	-23.1	-175.2	-71.1	179.8	-63	127.8	-0.4	114.2	S177 A178 G183 W388 D482	S177-R181 WeakPolarHBondContact O-CB 3.39Å; S177-R181 VanDerWaalsContact O-CG 3.3Å; S177-R181 WeakPolarHBondContact O-CG 3.48Å; S177-R181 PolarHBondContact O-N 3.41Å; S177-R181 PolarHBondContact O-NE 3.01Å; S177-R181 PolarHBondContact OG-NE 3.03Å; S177-R181 VanDerWaalsContact OG-NE 3.1Å; S177-R181 PolarHBondContact OG-NH2 3.49Å; A178-R181 PolarHBondContact O-N 2.83Å; A178-R181 VanDerWaalsContact O-N 3.15Å; R181-G183 PolarHBondContact O-N 2.8Å; R181-W388 HydrophobicContact CB-CH2 3.91Å; R181-W388 HydrophobicContact CB-CZ3 3.56Å; R181-D482 IonicContact CZ-OD1 3.29Å; R181-D482 IonicContact CZ-OD2 3.04Å; R181-D482 IonicContact NH1-OD1 2.94Å; R181-D482 PolarHBondContact NH1-OD1 3.43Å; R181-D482 IonicContact NH1-OD2 3.52Å; R181-D482 VanDerWaalsContact NH2-CG 3.33Å; R181-D482 IonicContact NH2-OD1 2.71Å; R181-D482 PolarHBondContact NH2-OD1 3.06Å; R181-D482 VanDerWaalsContact NH2-OD1 3.16Å; R181-D482 IonicContact NH2-OD2 3.03Å; R181-D482 PolarHBondContact NH2-OD2 3.42Å
182	A	95.4	Very high	95.9	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	27%	0.274	C	S	.	.			trans	-65.9	126.5	179.3	0	0	0	0	0	111.1	A178 C187 R188 I191 W388	A178-A182 WeakPolarHBondContact O-CB 3.4Å; A178-A182 PolarHBondContact O-N 3.42Å; A182-C187 HydrophobicContact CB-CB 4.28Å; A182-R188 HydrophobicContact CB-CG 3.82Å; A182-R188 PolarHBondContact O-NH1 2.96Å; A182-I191 HydrophobicContact CB-CD1 3.87Å; A182-W388 HydrophobicContact CB-CH2 4.17Å; A182-W388 HydrophobicContact CB-CZ2 3.92Å
183	G	93.3	Very high	96	Very high	61 Å²	61	52.9 Å²	52.9	63%	0.629	27%	0.267	S	S	*	.			trans	-76.4	-45.3	-170.6	0	0	0	0	0	113.2	R181 R188 D384	R181-G183 PolarHBondContact O-N 2.8Å; G183-R188 VanDerWaalsContact C-NH1 3.3Å; G183-R188 PolarHBondContact O-NH1 2.93Å; G183-D384 PolarHBondContact N-OD2 3.45Å; G183-D384 VanDerWaalsContact N-OD2 3.11Å
184	S	95.7	Very high	96	Very high	38 Å²	38	47.8 Å²	47.8	27%	0.266	25%	0.246	S	C	.	.	S	Bend	trans	-87	146.3	-177.9	79	0	0	0	0	113	Q186 C187 R188 D384	S184-Q186 PolarHBondContact O-N 2.94Å; S184-C187 PolarHBondContact O-N 2.91Å; S184-C187 VanDerWaalsContact OG-CB 3.22Å; S184-C187 WeakPolarHBondContact OG-CB 3.47Å; S184-C187 PolarHBondContact OG-N 3.21Å; S184-R188 PolarHBondContact O-N 3.27Å; S184-R188 VanDerWaalsContact O-N 3.1Å; S184-D384 WeakPolarHBondContact CB-OD1 3.33Å; S184-D384 PolarHBondContact N-OD2 3.07Å; S184-D384 VanDerWaalsContact OG-CG 3.31Å; S184-D384 PolarHBondContact OG-OD1 3.21Å; S184-D384 PolarHBondContact OG-OD2 3.13Å
185	Q	93.1	Very high	96	Very high	101 Å²	101	47 Å²	47	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-33	171.8	-172.2	-178.9	6	0	0	111.3	D163 Q189	D163-Q185 PolarHBondContact O-NE2 3.26Å; Q185-Q189 VanDerWaalsContact O-CB 3.29Å; Q185-Q189 WeakPolarHBondContact O-CB 3.48Å; Q185-Q189 PolarHBondContact O-N 2.81Å
186	Q	95.1	Very high	96	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	25%	0.246	S	C	*	.	H	α-helix	trans	-61.1	-50.7	173.8	-178.6	-177.3	-22.4	0	0	111.2	S184 R188 Q189 E190	S184-Q186 PolarHBondContact O-N 2.94Å; Q186-R188 PolarHBondContact O-N 3.13Å; Q186-Q189 CarbonylContact O-C 3.58Å; Q186-Q189 PolarHBondContact O-N 2.82Å; Q186-Q189 VanDerWaalsContact O-N 3.09Å; Q186-E190 HydrophobicContact CG-CG 4.46Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.11Å; Q186-E190 PolarHBondContact NE2-OE1 3.3Å; Q186-E190 WeakPolarHBondContact O-CG 3.33Å; Q186-E190 PolarHBondContact O-N 2.74Å
187	C	96.5	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-41	-179.7	-175.5	0	0	0	0	111.5	A182 S184 Q189 E190 I191 C383 D384 W388	A182-C187 HydrophobicContact CB-CB 4.28Å; S184-C187 PolarHBondContact O-N 2.91Å; S184-C187 VanDerWaalsContact OG-CB 3.22Å; S184-C187 WeakPolarHBondContact OG-CB 3.47Å; S184-C187 PolarHBondContact OG-N 3.21Å; C187-Q189 VanDerWaalsContact C-N 3.34Å; C187-Q189 PolarHBondContact O-N 2.97Å; C187-E190 PolarHBondContact O-N 3.2Å; C187-I191 WeakPolarHBondContact O-CB 3.14Å; C187-I191 WeakPolarHBondContact O-CD1 3.04Å; C187-I191 WeakPolarHBondContact O-CG1 3.45Å; C187-I191 PolarHBondContact O-N 2.98Å; C187-C383 WeakPolarHBondContact CA-SG 3.44Å; C187-C383 HydrophobicContact CB-CB 3.64Å; C187-C383 WeakPolarHBondContact CB-SG 3.48Å; C187-C383 VanDerWaalsContact SG-C 3.57Å; C187-C383 WeakPolarHBondContact SG-CB 3.47Å; C187-C383 CovalentContact SG-SG 2.04Å; C187-C383 PolarHBondContact SG-SG 3Å; C187-D384 HydrophobicContact CB-CB 4.4Å; C187-D384 VanDerWaalsContact CB-CG 3.44Å; C187-D384 WeakPolarHBondContact CB-OD1 3.31Å; C187-D384 WeakPolarHBondContact CB-OD2 3.48Å; C187-W388 PolarHBondContact SG-NE1 3.2Å
188	R	96	Very high	96	Very high	74 Å²	74	48.7 Å²	48.7	28%	0.279	25%	0.245	S	C	.	.	H	α-helix	trans	-58.3	-43.1	170.5	-68.9	-171	-65.9	-89.3	4.8	112.4	F164 L179 A182 G183 S184 Q186 A192	F164-R188 HydrophobicContact CE1-CB 4.14Å; F164-R188 HydrophobicContact CZ-CB 4.24Å; F164-R188 WeakPolarHBondContact CZ-O 3.47Å; L179-R188 HydrophobicContact CD2-CB 4.06Å; L179-R188 HydrophobicContact CD2-CG 4.41Å; L179-R188 VanDerWaalsContact CD2-O 3.23Å; L179-R188 WeakPolarHBondContact CD2-O 3.46Å; L179-R188 VanDerWaalsContact O-CD 3.22Å; L179-R188 WeakPolarHBondContact O-CD 3.37Å; A182-R188 HydrophobicContact CB-CG 3.82Å; A182-R188 PolarHBondContact O-NH1 2.96Å; G183-R188 VanDerWaalsContact C-NH1 3.3Å; G183-R188 PolarHBondContact O-NH1 2.93Å; S184-R188 PolarHBondContact O-N 3.27Å; S184-R188 VanDerWaalsContact O-N 3.1Å; Q186-R188 PolarHBondContact O-N 3.13Å; R188-A192 PolarHBondContact O-N 3.43Å; R188-A192 VanDerWaalsContact O-N 3.09Å
189	Q	94.8	Very high	95.9	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-38.3	179.1	-176.9	60.3	90.8	0	0	113.2	F164 Q185 Q186 C187 N193	F164-Q189 HydrophobicContact CE2-CB 4.21Å; Q185-Q189 VanDerWaalsContact O-CB 3.29Å; Q185-Q189 WeakPolarHBondContact O-CB 3.48Å; Q185-Q189 PolarHBondContact O-N 2.81Å; Q186-Q189 CarbonylContact O-C 3.58Å; Q186-Q189 PolarHBondContact O-N 2.82Å; Q186-Q189 VanDerWaalsContact O-N 3.09Å; C187-Q189 VanDerWaalsContact C-N 3.34Å; C187-Q189 PolarHBondContact O-N 2.97Å; Q189-N193 PolarHBondContact NE2-ND2 3.04Å; Q189-N193 PolarHBondContact O-N 2.82Å; Q189-N193 VanDerWaalsContact O-N 3.11Å; Q189-N193 PolarHBondContact O-ND2 2.9Å
190	E	96.4	Very high	95.8	Very high	55 Å²	55	54.8 Å²	54.8	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-51.5	172.6	-72.6	175.3	-165.1	0	0	110.8	Q186 C187 A192 N193 I194 H381 C383	Q186-E190 HydrophobicContact CG-CG 4.46Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.11Å; Q186-E190 PolarHBondContact NE2-OE1 3.3Å; Q186-E190 WeakPolarHBondContact O-CG 3.33Å; Q186-E190 PolarHBondContact O-N 2.74Å; C187-E190 PolarHBondContact O-N 3.2Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.84Å; E190-N193 PolarHBondContact O-N 2.66Å; E190-N193 VanDerWaalsContact O-N 3.15Å; E190-I194 HydrophobicContact CB-CD1 4.44Å; E190-I194 WeakPolarHBondContact O-CB 3.27Å; E190-I194 WeakPolarHBondContact O-CD1 3.28Å; E190-I194 VanDerWaalsContact O-CG1 3.26Å; E190-I194 WeakPolarHBondContact O-CG1 3.14Å; E190-I194 PolarHBondContact O-N 3.2Å; E190-H381 IonicContact OE2-CD2 2.8Å; E190-H381 IonicContact OE2-CE1 2.68Å; E190-H381 IonicContact OE2-NE2 3.11Å; E190-H381 PolarHBondContact OE2-NE2 2.83Å; E190-C383 WeakPolarHBondContact OE2-CB 3.26Å
191	I	97.5	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-52	-50.3	177.9	-71.4	163.9	0	0	0	111	A178 L179 A182 C187 I194 V195 W388 L390	A178-I191 HydrophobicContact CB-CD1 4.17Å; A178-I191 HydrophobicContact CB-CG2 4.48Å; L179-I191 HydrophobicContact CD2-CB 3.91Å; L179-I191 HydrophobicContact CD2-CG2 3.64Å; L179-I191 HydrophobicContact CG-CG2 3.81Å; A182-I191 HydrophobicContact CB-CD1 3.87Å; C187-I191 WeakPolarHBondContact O-CB 3.14Å; C187-I191 WeakPolarHBondContact O-CD1 3.04Å; C187-I191 WeakPolarHBondContact O-CG1 3.45Å; C187-I191 PolarHBondContact O-N 2.98Å; I191-I194 PolarHBondContact O-N 2.93Å; I191-V195 HydrophobicContact CG2-CG2 4.44Å; I191-V195 WeakPolarHBondContact O-CB 3.43Å; I191-V195 VanDerWaalsContact O-CG2 3.28Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 3.4Å; I191-W388 HydrophobicContact CD1-CD2 4.28Å; I191-W388 HydrophobicContact CD1-CG 4.05Å; I191-L390 HydrophobicContact CG1-CD2 4.2Å; I191-L390 HydrophobicContact CG2-CD2 3.79Å
192	A	96.8	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-40.2	179.6	0	0	0	0	0	113.7	F164 P166 I170 L179 R188 E190 I194 V195 C196	F164-A192 HydrophobicContact CE2-CB 3.99Å; F164-A192 HydrophobicContact CZ-CB 3.58Å; P166-A192 HydrophobicContact CB-CB 3.98Å; I170-A192 HydrophobicContact CD1-CB 3.51Å; L179-A192 HydrophobicContact CD2-CB 4.48Å; R188-A192 PolarHBondContact O-N 3.43Å; R188-A192 VanDerWaalsContact O-N 3.09Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.84Å; A192-I194 VanDerWaalsContact C-N 3.32Å; A192-I194 PolarHBondContact O-N 3.17Å; A192-V195 PolarHBondContact O-N 2.71Å; A192-C196 WeakPolarHBondContact O-CB 3.33Å; A192-C196 PolarHBondContact O-N 2.89Å; A192-C196 PolarHBondContact O-SG 2.89Å
193	N	95.9	Very high	95.8	Very high	40 Å²	40	52.3 Å²	52.3	21%	0.214	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-44.6	175.8	-79.7	-57.2	0	0	0	111.3	K167 Q189 E190 C196 Q197	K167-N193 WeakPolarHBondContact CD-OD1 3.24Å; K167-N193 VanDerWaalsContact CE-OD1 3.26Å; K167-N193 WeakPolarHBondContact CE-OD1 3.29Å; K167-N193 PolarHBondContact NZ-OD1 3.32Å; Q189-N193 PolarHBondContact NE2-ND2 3.04Å; Q189-N193 PolarHBondContact O-N 2.82Å; Q189-N193 VanDerWaalsContact O-N 3.11Å; Q189-N193 PolarHBondContact O-ND2 2.9Å; E190-N193 PolarHBondContact O-N 2.66Å; E190-N193 VanDerWaalsContact O-N 3.15Å; N193-C196 PolarHBondContact O-N 3.44Å; N193-Q197 WeakPolarHBondContact O-CB 3.29Å; N193-Q197 WeakPolarHBondContact O-CG 3.42Å; N193-Q197 PolarHBondContact O-N 2.86Å
194	I	96.9	Very high	95.9	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-44.6	-179.5	-67.7	161.7	0	0	0	110.7	E190 I191 A192 Q197 H198 L203 L379 H381 L390 Y435	E190-I194 HydrophobicContact CB-CD1 4.44Å; E190-I194 WeakPolarHBondContact O-CB 3.27Å; E190-I194 WeakPolarHBondContact O-CD1 3.28Å; E190-I194 VanDerWaalsContact O-CG1 3.26Å; E190-I194 WeakPolarHBondContact O-CG1 3.14Å; E190-I194 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 2.93Å; A192-I194 VanDerWaalsContact C-N 3.32Å; A192-I194 PolarHBondContact O-N 3.17Å; I194-Q197 PolarHBondContact O-N 3.31Å; I194-H198 WeakPolarHBondContact O-CB 3.39Å; I194-H198 PolarHBondContact O-N 2.91Å; I194-L203 HydrophobicContact CG2-CD2 3.69Å; I194-L379 HydrophobicContact CG2-CD2 4.14Å; I194-H381 HydrophobicContact CD1-CB 3.98Å; I194-H381 VanDerWaalsContact CD1-CD2 3.49Å; I194-H381 WeakPolarHBondContact CD1-CD2 3.32Å; I194-H381 WeakPolarHBondContact CD1-ND1 3.44Å; I194-L390 HydrophobicContact CB-CD1 4.33Å; I194-L390 HydrophobicContact CG2-CD1 3.77Å; I194-Y435 HydrophobicContact CD1-CD1 4.48Å; I194-Y435 HydrophobicContact CD1-CE1 3.76Å; I194-Y435 HydrophobicContact CG1-CE1 3.94Å; I194-Y435 HydrophobicContact CG2-CD1 4.12Å; I194-Y435 HydrophobicContact CG2-CE1 4.02Å
195	V	97.3	Very high	95.9	Very high	11 Å²	11	50 Å²	50	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-44.4	177.8	172.4	0	0	0	0	111.4	I170 A175 I191 A192 Q197 H198 Q199 L390	I170-V195 HydrophobicContact CD1-CB 4.47Å; I170-V195 HydrophobicContact CD1-CG1 4.42Å; I170-V195 HydrophobicContact CG1-CG1 4.2Å; I170-V195 HydrophobicContact CG2-CG1 4.09Å; A175-V195 HydrophobicContact CB-CG1 4.21Å; A175-V195 HydrophobicContact CB-CG2 3.76Å; I191-V195 HydrophobicContact CG2-CG2 4.44Å; I191-V195 WeakPolarHBondContact O-CB 3.43Å; I191-V195 VanDerWaalsContact O-CG2 3.28Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 3.4Å; A192-V195 PolarHBondContact O-N 2.71Å; V195-Q197 PolarHBondContact O-N 2.84Å; V195-H198 PolarHBondContact O-N 3.03Å; V195-Q199 HydrophobicContact CG1-CG 4.4Å; V195-Q199 WeakPolarHBondContact O-CB 3.39Å; V195-Q199 WeakPolarHBondContact O-CG 3.33Å; V195-Q199 PolarHBondContact O-N 3.49Å; V195-Q199 PolarHBondContact O-OE1 3.35Å; V195-L390 HydrophobicContact CG2-CB 4.08Å; V195-L390 HydrophobicContact CG2-CD1 4.11Å
196	C	96.4	Very high	95.9	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.101	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-41.6	175.2	-63.7	0	0	0	0	112.7	C168 A192 N193 H198 Q199 A200	C168-C196 HydrophobicContact CB-CB 3.85Å; C168-C196 WeakPolarHBondContact CB-SG 3.48Å; C168-C196 PolarHBondContact N-SG 2.83Å; C168-C196 VanDerWaalsContact N-SG 3.39Å; C168-C196 WeakPolarHBondContact SG-CA 3.41Å; C168-C196 WeakPolarHBondContact SG-CB 3.32Å; C168-C196 CovalentContact SG-SG 2.03Å; C168-C196 PolarHBondContact SG-SG 3.46Å; A192-C196 WeakPolarHBondContact O-CB 3.33Å; A192-C196 PolarHBondContact O-N 2.89Å; A192-C196 PolarHBondContact O-SG 2.89Å; N193-C196 PolarHBondContact O-N 3.44Å; C196-H198 VanDerWaalsContact C-N 3.32Å; C196-H198 PolarHBondContact O-N 3.47Å; C196-Q199 PolarHBondContact O-N 3.31Å; C196-A200 VanDerWaalsContact O-CB 3.3Å; C196-A200 WeakPolarHBondContact O-CB 3.45Å; C196-A200 PolarHBondContact O-N 2.91Å
197	Q	96.4	Very high	95.9	Very high	87 Å²	87	48.5 Å²	48.5	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-34.7	176.1	-76	177	-30	0	0	112.4	N193 I194 V195 G201 Q202 L203	N193-Q197 WeakPolarHBondContact O-CB 3.29Å; N193-Q197 WeakPolarHBondContact O-CG 3.42Å; N193-Q197 PolarHBondContact O-N 2.86Å; I194-Q197 PolarHBondContact O-N 3.31Å; V195-Q197 PolarHBondContact O-N 2.84Å; Q197-G201 PolarHBondContact O-N 3.21Å; Q197-Q202 PolarHBondContact O-N 3.22Å; Q197-L203 HydrophobicContact CB-CB 4.11Å; Q197-L203 HydrophobicContact CB-CD1 4.15Å; Q197-L203 PolarHBondContact O-N 3.49Å
198	H	96.8	Very high	95.9	Very high	48 Å²	48	48.9 Å²	48.9	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-46.2	175.1	-170.9	60.4	0	0	0	112	I194 V195 C196 A200 G201 L203 L379 E392	I194-H198 WeakPolarHBondContact O-CB 3.39Å; I194-H198 PolarHBondContact O-N 2.91Å; V195-H198 PolarHBondContact O-N 3.03Å; C196-H198 VanDerWaalsContact C-N 3.32Å; C196-H198 PolarHBondContact O-N 3.47Å; H198-A200 PolarHBondContact O-N 3.08Å; H198-G201 PolarHBondContact O-N 3.25Å; H198-L203 HydrophobicContact CB-CB 4.22Å; H198-L203 HydrophobicContact CB-CD2 3.93Å; H198-L379 HydrophobicContact CB-CD2 3.89Å; H198-E392 PolarHBondContact NE2-O 2.96Å
199	Q	95.1	Very high	95.8	Very high	96 Å²	96	46.9 Å²	46.9	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-32	173.9	-73.3	171.6	-71.1	0	0	112.5	C168 D169 V195 C196 G201	C168-Q199 PolarHBondContact SG-OE1 3.34Å; D169-Q199 PolarHBondContact O-NE2 3.25Å; V195-Q199 HydrophobicContact CG1-CG 4.4Å; V195-Q199 WeakPolarHBondContact O-CB 3.39Å; V195-Q199 WeakPolarHBondContact O-CG 3.33Å; V195-Q199 PolarHBondContact O-N 3.49Å; V195-Q199 PolarHBondContact O-OE1 3.35Å; C196-Q199 PolarHBondContact O-N 3.31Å; Q199-G201 VanDerWaalsContact C-N 3.31Å
200	A	95.5	Very high	95.7	Very high	58 Å²	58	47.3 Å²	47.3	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.1	176.2	0	0	0	0	0	114.6	C196 H198 Q202	C196-A200 VanDerWaalsContact O-CB 3.3Å; C196-A200 WeakPolarHBondContact O-CB 3.45Å; C196-A200 PolarHBondContact O-N 2.91Å; H198-A200 PolarHBondContact O-N 3.08Å; A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 HydrophobicContact CB-CG 4.1Å; A200-Q202 PolarHBondContact O-N 3.4Å
201	G	95.1	Very high	95.5	Very high	48 Å²	48	47.4 Å²	47.4	50%	0.495	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	14.3	-176.2	0	0	0	0	0	114.8	Q197 H198 Q199	Q197-G201 PolarHBondContact O-N 3.21Å; H198-G201 PolarHBondContact O-N 3.25Å; Q199-G201 VanDerWaalsContact C-N 3.31Å
202	Q	95.4	Very high	95.2	Very high	151 Å²	151	47.9 Å²	47.9	71%	0.706	26%	0.264	S	S	*	.			trans	-100.2	-8.2	-170.9	-66.2	173.7	9.2	0	0	114	Q197 A200	Q197-Q202 PolarHBondContact O-N 3.22Å; A200-Q202 VanDerWaalsContact C-N 3.27Å; A200-Q202 HydrophobicContact CB-CG 4.1Å; A200-Q202 PolarHBondContact O-N 3.4Å
203	L	95.9	Very high	94.5	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.307	C	S	.	.	S	Bend	trans	-93.9	-42	-172.7	-168.9	74.2	0	0	0	114.4	I194 Q197 H198 L379 Q431 Y435	I194-L203 HydrophobicContact CG2-CD2 3.69Å; Q197-L203 HydrophobicContact CB-CB 4.11Å; Q197-L203 HydrophobicContact CB-CD1 4.15Å; Q197-L203 PolarHBondContact O-N 3.49Å; H198-L203 HydrophobicContact CB-CB 4.22Å; H198-L203 HydrophobicContact CB-CD2 3.93Å; L203-L379 HydrophobicContact CD2-CD1 3.82Å; L203-L379 HydrophobicContact CD2-CD2 3.95Å; L203-Q431 WeakPolarHBondContact O-CG 3.38Å; L203-Q431 PolarHBondContact O-NE2 2.81Å; L203-Y435 HydrophobicContact CD1-CD2 4.42Å; L203-Y435 HydrophobicContact CD1-CE2 3.81Å; L203-Y435 HydrophobicContact CD2-CD2 4.44Å; L203-Y435 HydrophobicContact CD2-CG 4.49Å; L203-Y435 HydrophobicContact CG-CD2 4.41Å; L203-Y435 HydrophobicContact CG-CE2 4.26Å
204	M	96.1	Very high	93.3	Very high	23 Å²	23	62.8 Å²	62.8	11%	0.113	32%	0.322	C	S	.	.	S	Bend	trans	-109	143.2	-171.7	-67.5	-73.9	103.3	0	0	110.7	L379 R393 F432 Y435	M204-L379 HydrophobicContact CE-CD1 4.04Å; M204-L379 HydrophobicContact SD-CD1 4.24Å; M204-R393 PolarHBondContact SD-NH1 3.17Å; M204-F432 HydrophobicContact SD-CD2 3.89Å; M204-F432 HydrophobicContact SD-CE2 4.48Å; M204-Y435 HydrophobicContact CE-CD2 3.6Å; M204-Y435 HydrophobicContact CE-CE2 4.5Å; M204-Y435 HydrophobicContact CE-CG 4.12Å
205	P	94.8	Very high	91.6	Very high	27 Å²	27	67.4 Å²	67.4	18%	0.175	35%	0.347	C	S	.	.			trans	-71	130.6	172.9	29.2	-32.9	0	0	0	110.8	L208 P396 F432	P205-L208 HydrophobicContact CB-CD2 3.82Å; P205-L208 HydrophobicContact CB-CG 4.27Å; P205-L208 HydrophobicContact CG-CD1 4.21Å; P205-L208 HydrophobicContact CG-CD2 4.09Å; P205-L208 HydrophobicContact CG-CG 4.29Å; P205-P396 HydrophobicContact CG-CG 4.08Å; P205-P396 WeakPolarHBondContact O-CB 3.36Å; P205-P396 WeakPolarHBondContact O-CG 3.35Å; P205-F432 HydrophobicContact CG-CB 4.46Å
206	E	92.8	Very high	89.7	Confident	160 Å²	160	70 Å²	70	75%	0.748	38%	0.376	S	S	*	.	S	Bend	trans	-71.9	-38.3	178.4	-61.1	-175.6	144.4	0	0	112.5	P396 E397	E206-P396 CarbonylContact O-C 3.55Å; E206-P396 WeakPolarHBondContact O-CA 3.45Å; E206-E397 PolarHBondContact O-N 3.06Å
207	A	96.2	Very high	87.6	Confident	46 Å²	46	73.4 Å²	73.4	38%	0.38	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-142.5	149.2	179.9	0	0	0	0	0	111.5	E397	A207-E397 CarbonylContact C-O 3.59Å; A207-E397 WeakPolarHBondContact CA-O 3.48Å; A207-E397 HydrophobicContact CB-CB 4.01Å
208	L	96.3	Very high	85.7	Confident	8 Å²	8	72.1 Å²	72.1	4%	0.042	40%	0.397	C	S	.	.			trans	-134.4	143.3	178.3	-64.6	176.6	0	0	0	111.1	P205 P396 E397 L399 Q424 L429	P205-L208 HydrophobicContact CB-CD2 3.82Å; P205-L208 HydrophobicContact CB-CG 4.27Å; P205-L208 HydrophobicContact CG-CD1 4.21Å; P205-L208 HydrophobicContact CG-CD2 4.09Å; P205-L208 HydrophobicContact CG-CG 4.29Å; L208-P396 HydrophobicContact CD1-CB 4.04Å; L208-P396 HydrophobicContact CD1-CG 4Å; L208-P396 HydrophobicContact CG-CB 3.93Å; L208-P396 HydrophobicContact CG-CG 4.36Å; L208-E397 PolarHBondContact N-O 2.97Å; L208-L399 HydrophobicContact CB-CD1 4.42Å; L208-L399 HydrophobicContact CD1-CD1 4.13Å; L208-L399 HydrophobicContact CD1-CD2 4.25Å; L208-Q424 HydrophobicContact CD2-CG 4.47Å; L208-L429 HydrophobicContact CD1-CD2 3.84Å; L208-L429 HydrophobicContact CD1-CG 4.05Å
209	P	93.9	Very high	83.7	Confident	33 Å²	33	74.1 Å²	74.1	21%	0.214	41%	0.406	C	S	.	.			trans	-77	136.3	-177.9	30.7	-34.4	0	0	0	112.1	F211 Q424 L425	P209-F211 HydrophobicContact CB-CE1 3.91Å; P209-F211 HydrophobicContact CB-CE2 4.41Å; P209-F211 HydrophobicContact CB-CZ 3.86Å; P209-F211 HydrophobicContact CG-CE1 4.11Å; P209-F211 HydrophobicContact CG-CE2 3.87Å; P209-F211 HydrophobicContact CG-CZ 3.51Å; P209-Q424 HydrophobicContact CG-CB 3.98Å; P209-Q424 HydrophobicContact CG-CG 4.33Å; P209-L425 HydrophobicContact CG-CB 4.29Å
210	Q	91.8	Very high	81.8	Confident	75 Å²	75	75 Å²	75	35%	0.35	42%	0.42	S	S	.	.			trans	-92.7	116.2	168.7	-165.1	-166.8	-61.7	0	0	110	C212 N450	Q210-C212 PolarHBondContact NE2-O 3.35Å; Q210-N450 HydrophobicContact CG-CB 4.49Å
211	F	93.7	Very high	79.9	Confident	56 Å²	56	74.3 Å²	74.3	25%	0.246	41%	0.41	C	S	.	.			trans	-96.7	-16	179.9	-63.4	-51.6	0	0	0	113.9	P209 D423 L425 N450 H452	P209-F211 HydrophobicContact CB-CE1 3.91Å; P209-F211 HydrophobicContact CB-CE2 4.41Å; P209-F211 HydrophobicContact CB-CZ 3.86Å; P209-F211 HydrophobicContact CG-CE1 4.11Å; P209-F211 HydrophobicContact CG-CE2 3.87Å; P209-F211 HydrophobicContact CG-CZ 3.51Å; F211-D423 HydrophobicContact CE2-CB 4Å; F211-D423 HydrophobicContact CZ-CB 4.29Å; F211-L425 HydrophobicContact CD2-CB 4.05Å; F211-L425 HydrophobicContact CD2-CD2 3.88Å; F211-L425 HydrophobicContact CE2-CB 3.7Å; F211-L425 HydrophobicContact CE2-CD2 4.41Å; F211-N450 CarbonylContact C-O 3.53Å; F211-N450 WeakPolarHBondContact CA-O 3.46Å; F211-N450 WeakPolarHBondContact CB-O 3.27Å; F211-N450 PolarHBondContact N-O 2.83Å; F211-H452 AromaticContact CD1-CE1 3.81Å; F211-H452 AromaticContact CD1-NE2 3.91Å; F211-H452 AromaticContact CG-CE1 3.84Å; F211-H452 AromaticContact CG-NE2 3.85Å
212	C	90.3	Very high	77.8	Confident	11 Å²	11	80 Å²	80	7%	0.074	42%	0.424	C	S	.	.			trans	-69.7	127.8	177	-179.4	0	0	0	0	112.2	Q210 Q214 G449 N450 S451 C454	Q210-C212 PolarHBondContact NE2-O 3.35Å; C212-Q214 PolarHBondContact SG-N 2.85Å; C212-G449 WeakPolarHBondContact CB-O 3.23Å; C212-G449 PolarHBondContact SG-O 3.34Å; C212-N450 PolarHBondContact N-O 2.85Å; C212-S451 WeakPolarHBondContact CA-O 3.41Å; C212-S451 WeakPolarHBondContact CB-O 3.31Å; C212-S451 PolarHBondContact N-O 3.19Å; C212-C454 VanDerWaalsContact CA-SG 3.56Å; C212-C454 HydrophobicContact CB-CB 3.67Å; C212-C454 WeakPolarHBondContact CB-SG 3.35Å; C212-C454 WeakPolarHBondContact SG-CB 3.36Å; C212-C454 CovalentContact SG-SG 2.03Å; C212-C454 PolarHBondContact SG-SG 2.68Å
213	R	81.3	Confident	75.5	Confident	237 Å²	237	76.1 Å²	76.1	89%	0.894	42%	0.417	S	S	*	.	S	Bend	trans	-89.8	-10.8	179.5	-62.8	-178.5	179.2	177.1	-0.4	114.3
214	Q	70.6	Confident	73.1	Confident	115 Å²	115	78.6 Å²	78.6	54%	0.537	44%	0.438	S	S	.	.	S	Bend	trans	-129.1	71.3	-174.4	-68.1	-173.3	-6.5	0	0	110.9	C212 G216 V217	C212-Q214 PolarHBondContact SG-N 2.85Å; Q214-G216 PolarHBondContact O-N 3.25Å; Q214-V217 HydrophobicContact CB-CB 4.47Å; Q214-V217 HydrophobicContact CB-CG2 4.34Å
215	L	62.8	Low	70.6	Confident	106 Å²	106	79.8 Å²	79.8	56%	0.555	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	130.5	174	-82.8	158.8	0	0	0	112	V217 E400	L215-V217 VanDerWaalsContact C-N 3.29Å; L215-V217 PolarHBondContact O-N 2.96Å; L215-E400 WeakPolarHBondContact CD2-OE2 3.13Å
216	G	56.5	Low	68.1	Low	66 Å²	66	87.2 Å²	87.2	68%	0.68	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	2.4	170.7	0	0	0	0	0	117.7	Q214 S218	Q214-G216 PolarHBondContact O-N 3.25Å; G216-S218 PolarHBondContact O-N 3.41Å
217	V	51.8	Low	66	Low	86 Å²	86	84 Å²	84	52%	0.521	49%	0.486	S	S	.	.			trans	-90.9	89.9	-178.7	-173.6	0	0	0	0	111.2	Q214 L215	Q214-V217 HydrophobicContact CB-CB 4.47Å; Q214-V217 HydrophobicContact CB-CG2 4.34Å; L215-V217 VanDerWaalsContact C-N 3.29Å; L215-V217 PolarHBondContact O-N 2.96Å
218	S	56.7	Low	63.7	Low	60 Å²	60	89.9 Å²	89.9	42%	0.42	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-86.6	132.8	165.3	56.7	0	0	0	0	110.9	G216	G216-S218 PolarHBondContact O-N 3.41Å
219	Q	55.5	Low	61.7	Low	89 Å²	89	93.3 Å²	93.3	42%	0.416	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-78.4	126.1	175.2	-67.4	-173.4	-15.2	0	0	109.6
220	P	54.1	Low	60.3	Low	115 Å²	115	94 Å²	94	75%	0.747	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-69.1	139	174.8	29	-33.7	0	0	0	109.8	Q222	P220-Q222 PolarHBondContact O-N 3.16Å
221	V	55.4	Low	59.3	Low	43 Å²	43	93.2 Å²	93.2	26%	0.261	52%	0.524	S	S	.	.			trans	-65.5	108.6	169.7	-177.2	0	0	0	0	108.1	A223 V458 N460 P505	V221-A223 PolarHBondContact O-N 3.14Å; V221-V458 HydrophobicContact CG2-CG1 3.23Å; V221-N460 HydrophobicContact CG2-CB 3.85Å; V221-P505 HydrophobicContact CG1-CG 3.77Å
222	Q	51.3	Low	58.1	Low	169 Å²	169	95.7 Å²	95.7	79%	0.79	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-62.6	126.7	163	-67.6	-174.1	-3.3	0	0	107.4	P220 A224	P220-Q222 PolarHBondContact O-N 3.16Å; Q222-A224 PolarHBondContact O-N 3.28Å
223	A	47.7	Very low	57.2	Low	68 Å²	68	101.7 Å²	101.7	56%	0.562	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.8	168.5	0	0	0	0	0	107.5	V221 G225	V221-A223 PolarHBondContact O-N 3.14Å; A223-G225 PolarHBondContact O-N 2.69Å; A223-G225 VanDerWaalsContact O-N 3.14Å
224	A	46.2	Very low	57.2	Low	58 Å²	58	92.1 Å²	92.1	48%	0.479	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-58	118.9	162.9	0	0	0	0	0	107.1	Q222 F229	Q222-A224 PolarHBondContact O-N 3.28Å; A224-F229 HydrophobicContact CB-CE2 3.94Å; A224-F229 HydrophobicContact CB-CZ 3.86Å
225	G	43.6	Very low	57.5	Low	48 Å²	48	96.2 Å²	96.2	50%	0.495	56%	0.56	S	S	.	*			trans	-68.1	-177.5	175.2	0	0	0	0	0	111.6	A223 V227	A223-G225 PolarHBondContact O-N 2.69Å; A223-G225 VanDerWaalsContact O-N 3.14Å; G225-V227 PolarHBondContact O-N 3Å
226	D	42.3	Very low	58.7	Low	183 Å²	183	96 Å²	96	98%	0.979	56%	0.559	S	S	*	*	S	Bend	trans	-70.6	64.1	179.6	-57.9	-54.3	0	0	0	112.3
227	V	48.8	Very low	60.5	Low	93 Å²	93	96 Å²	96	56%	0.564	55%	0.548	S	S	*	.			trans	-90.1	134.9	170	-177.8	0	0	0	0	107.8	G225 F229	G225-V227 PolarHBondContact O-N 3Å; V227-F229 HydrophobicContact CB-CD1 4.39Å; V227-F229 HydrophobicContact CB-CD2 4.18Å; V227-F229 HydrophobicContact CB-CE1 3.99Å; V227-F229 HydrophobicContact CB-CE2 3.76Å; V227-F229 HydrophobicContact CB-CG 4.48Å; V227-F229 HydrophobicContact CB-CZ 3.66Å; V227-F229 HydrophobicContact CG1-CD1 4.18Å; V227-F229 HydrophobicContact CG1-CE1 4.01Å; V227-F229 HydrophobicContact CG1-CZ 4.21Å; V227-F229 HydrophobicContact CG2-CZ 4.17Å; V227-F229 WeakPolarHBondContact O-CD2 3.19Å; V227-F229 PolarHBondContact O-N 3.48Å
228	E	46.7	Very low	62.7	Low	169 Å²	169	92 Å²	92	79%	0.79	52%	0.523	S	S	*	.			trans	-75.3	77.9	178.2	-166.2	179.7	-127.4	0	0	110.7	K233	E228-K233 PolarHBondContact O-NZ 2.81Å
229	F	55	Low	64.7	Low	79 Å²	79	93.6 Å²	93.6	35%	0.346	52%	0.52	S	S	.	.			trans	-73.8	143.2	-179.4	-59	-77.1	0	0	0	112	A224 V227 M349 M353	A224-F229 HydrophobicContact CB-CE2 3.94Å; A224-F229 HydrophobicContact CB-CZ 3.86Å; V227-F229 HydrophobicContact CB-CD1 4.39Å; V227-F229 HydrophobicContact CB-CD2 4.18Å; V227-F229 HydrophobicContact CB-CE1 3.99Å; V227-F229 HydrophobicContact CB-CE2 3.76Å; V227-F229 HydrophobicContact CB-CG 4.48Å; V227-F229 HydrophobicContact CB-CZ 3.66Å; V227-F229 HydrophobicContact CG1-CD1 4.18Å; V227-F229 HydrophobicContact CG1-CE1 4.01Å; V227-F229 HydrophobicContact CG1-CZ 4.21Å; V227-F229 HydrophobicContact CG2-CZ 4.17Å; V227-F229 WeakPolarHBondContact O-CD2 3.19Å; V227-F229 PolarHBondContact O-N 3.48Å; F229-M349 HydrophobicContact CB-CE 4.07Å; F229-M349 HydrophobicContact CB-CG 4.39Å; F229-M349 HydrophobicContact CB-SD 3.25Å; F229-M349 WeakPolarHBondContact CB-SD 3.26Å; F229-M349 HydrophobicContact CD1-SD 4.35Å; F229-M349 HydrophobicContact CD2-CE 4.01Å; F229-M349 HydrophobicContact CD2-SD 4.31Å; F229-M349 HydrophobicContact CG-CE 4.05Å; F229-M349 HydrophobicContact CG-SD 3.78Å; F229-M353 HydrophobicContact CD1-SD 4.41Å; F229-M353 HydrophobicContact CE1-CE 4.02Å; F229-M353 HydrophobicContact CE1-SD 3.77Å; F229-M353 HydrophobicContact CZ-CE 4.29Å; F229-M353 HydrophobicContact CZ-SD 4.43Å
230	S	63.9	Low	66.8	Low	47 Å²	47	89.3 Å²	89.3	33%	0.329	50%	0.5	S	S	.	.			trans	-139.7	140.6	170.4	170.8	0	0	0	0	108.8	S232 K233	S230-S232 PolarHBondContact O-N 3.39Å; S230-S232 PolarHBondContact OG-N 2.9Å; S230-S232 VanDerWaalsContact OG-N 3.12Å; S230-S232 PolarHBondContact OG-OG 2.89Å; S230-K233 WeakPolarHBondContact O-CB 3.45Å; S230-K233 PolarHBondContact O-N 3.31Å
231	L	70.8	Confident	68.9	Low	60 Å²	60	83.9 Å²	83.9	31%	0.314	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-55.1	-30.3	170.6	-82.5	-177.4	0	0	0	112.4	K233 V234 D345 V348 M349	L231-K233 PolarHBondContact O-N 3.21Å; L231-V234 WeakPolarHBondContact O-CB 3.36Å; L231-V234 PolarHBondContact O-N 3.36Å; L231-D345 HydrophobicContact CD1-CB 3.49Å; L231-D345 VanDerWaalsContact CD1-CB 3.49Å; L231-D345 VanDerWaalsContact CD1-CG 3.44Å; L231-D345 HydrophobicContact CG-CB 3.97Å; L231-V348 HydrophobicContact CD2-CB 4.28Å; L231-V348 HydrophobicContact CD2-CG1 4.08Å; L231-M349 HydrophobicContact CD2-CB 4.24Å
232	S	68.5	Low	71	Confident	108 Å²	108	82 Å²	82	76%	0.755	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-65.2	-7.7	177.8	73.3	0	0	0	0	114.2	S230	S230-S232 PolarHBondContact O-N 3.39Å; S230-S232 PolarHBondContact OG-N 2.9Å; S230-S232 VanDerWaalsContact OG-N 3.12Å; S230-S232 PolarHBondContact OG-OG 2.89Å
233	K	70.9	Confident	73.2	Confident	136 Å²	136	73.9 Å²	73.9	59%	0.591	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-101	2.2	175.3	-57.4	173.7	-175.2	172.7	0	112.4	E228 S230 L231	E228-K233 PolarHBondContact O-NZ 2.81Å; S230-K233 WeakPolarHBondContact O-CB 3.45Å; S230-K233 PolarHBondContact O-N 3.31Å; L231-K233 PolarHBondContact O-N 3.21Å
234	V	81.6	Confident	75.7	Confident	37 Å²	37	70.7 Å²	70.7	22%	0.224	39%	0.388	C	S	.	.			trans	-100.1	98.8	-177.3	-175.5	0	0	0	0	109.8	L231 N236 P237	L231-V234 WeakPolarHBondContact O-CB 3.36Å; L231-V234 PolarHBondContact O-N 3.36Å; V234-N236 PolarHBondContact O-N 3.22Å; V234-N236 VanDerWaalsContact O-N 3.15Å; V234-P237 HydrophobicContact CG1-CB 4.3Å
235	E	76.4	Confident	78.2	Confident	201 Å²	201	68.5 Å²	68.5	94%	0.939	37%	0.368	S	S	*	.	S	Bend	trans	-65.3	-17.9	-174	-60.5	-175.8	150.7	0	0	114.7
236	N	88.8	Confident	80.8	Confident	100 Å²	100	66.3 Å²	66.3	54%	0.535	35%	0.345	S	S	.	.	S	Bend	trans	-148.9	82.7	177.8	-179.2	-7.5	0	0	0	110	V234 R355	V234-N236 PolarHBondContact O-N 3.22Å; V234-N236 VanDerWaalsContact O-N 3.15Å; N236-R355 PolarHBondContact O-NH1 2.97Å; N236-R355 PolarHBondContact OD1-NH1 2.96Å; N236-R355 PolarHBondContact OD1-NH2 3.22Å
237	P	95.1	Very high	83.5	Confident	68 Å²	68	63.4 Å²	63.4	44%	0.442	33%	0.326	S	S	.	.			trans	-65.7	140.8	179.2	26.8	-33.7	0	0	0	111.5	V234 V348	V234-P237 HydrophobicContact CG1-CB 4.3Å; P237-V348 HydrophobicContact CB-CG1 3.63Å
238	V	97.6	Very high	85.8	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	31%	0.313	C	S	.	.			trans	-72.5	146.5	175.5	-66.6	0	0	0	0	112.7	D329 F330 V348 L351 S352 R355	V238-D329 WeakPolarHBondContact CA-OD2 3.38Å; V238-D329 HydrophobicContact CB-CB 4.02Å; V238-D329 HydrophobicContact CG1-CB 4.04Å; V238-F330 HydrophobicContact CB-CD2 4.27Å; V238-F330 HydrophobicContact CG1-CD2 4.15Å; V238-F330 HydrophobicContact CG1-CE2 4.13Å; V238-F330 HydrophobicContact CG2-CD2 4.37Å; V238-V348 HydrophobicContact CG2-CG1 4.32Å; V238-L351 HydrophobicContact CG2-CB 3.62Å; V238-S352 PolarHBondContact N-OG 2.99Å; V238-R355 HydrophobicContact CG1-CG 3.8Å
239	R	98.5	Very high	88.2	Confident	92 Å²	92	54.9 Å²	54.9	35%	0.347	29%	0.285	S	S	.	.			trans	-104.3	132.9	167.8	-67.8	177.5	-69.1	-141.6	-13.1	111	D265 Y267 K327 D329 F330	R239-D265 WeakPolarHBondContact CB-O 3.27Å; R239-D265 WeakPolarHBondContact CD-O 3.36Å; R239-D265 HydrophobicContact CG-CB 4.2Å; R239-D265 WeakPolarHBondContact CG-O 3.48Å; R239-Y267 HydrophobicContact CB-CE2 4.1Å; R239-K327 PolarHBondContact NE-O 2.86Å; R239-K327 VanDerWaalsContact NH2-CB 3.31Å; R239-K327 PolarHBondContact NH2-O 2.89Å; R239-K327 VanDerWaalsContact NH2-O 3.17Å; R239-D329 PolarHBondContact N-OD2 3.39Å; R239-D329 PolarHBondContact O-N 2.87Å; R239-F330 PolarHBondContact O-N 2.84Å
240	V	98.8	Very high	90.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130	-176.3	-177.2	0	0	0	0	110.3	F242 H266 Y267 I332 L351	V240-F242 HydrophobicContact CB-CD2 4.07Å; V240-F242 HydrophobicContact CB-CE2 3.67Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD1 3.92Å; V240-F242 HydrophobicContact CG1-CD2 3.73Å; V240-F242 HydrophobicContact CG1-CE1 3.76Å; V240-F242 HydrophobicContact CG1-CE2 3.58Å; V240-F242 HydrophobicContact CG1-CG 3.91Å; V240-F242 HydrophobicContact CG1-CZ 3.6Å; V240-F242 HydrophobicContact CG2-CE2 4.48Å; V240-F242 HydrophobicContact CG2-CZ 4.44Å; V240-H266 PolarHBondContact N-ND1 2.81Å; V240-H266 WeakPolarHBondContact O-CB 3.47Å; V240-Y267 PolarHBondContact O-N 3.42Å; V240-I332 HydrophobicContact CG1-CB 4.04Å; V240-I332 HydrophobicContact CG1-CD1 3.73Å; V240-I332 HydrophobicContact CG1-CG1 3.72Å; V240-I332 HydrophobicContact CG2-CD1 4.46Å; V240-L351 HydrophobicContact CG2-CD1 4.21Å
241	A	98.9	Very high	91.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	99.8	160.2	0	0	0	0	0	108.9	Y267 L320 W328 F330 F331 I332	A241-Y267 CarbonylContact C-O 3.59Å; A241-Y267 WeakPolarHBondContact CA-O 3.32Å; A241-L320 HydrophobicContact CB-CD1 4.01Å; A241-L320 HydrophobicContact CB-CD2 4.21Å; A241-W328 HydrophobicContact CB-CB 3.76Å; A241-W328 HydrophobicContact CB-CD2 3.89Å; A241-W328 HydrophobicContact CB-CE3 4.22Å; A241-W328 HydrophobicContact CB-CG 3.67Å; A241-F330 PolarHBondContact N-O 3.08Å; A241-F331 WeakPolarHBondContact O-CA 3.36Å; A241-I332 PolarHBondContact O-N 2.69Å
242	F	98.9	Very high	93.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.1	171	-68.7	-77.7	0	0	0	109.5	V240 L244 I261 H266 Y267 Y268 Y269 I332 L334 L347 F508	V240-F242 HydrophobicContact CB-CD2 4.07Å; V240-F242 HydrophobicContact CB-CE2 3.67Å; V240-F242 HydrophobicContact CB-CZ 3.98Å; V240-F242 HydrophobicContact CG1-CD1 3.92Å; V240-F242 HydrophobicContact CG1-CD2 3.73Å; V240-F242 HydrophobicContact CG1-CE1 3.76Å; V240-F242 HydrophobicContact CG1-CE2 3.58Å; V240-F242 HydrophobicContact CG1-CG 3.91Å; V240-F242 HydrophobicContact CG1-CZ 3.6Å; V240-F242 HydrophobicContact CG2-CE2 4.48Å; V240-F242 HydrophobicContact CG2-CZ 4.44Å; F242-L244 HydrophobicContact CB-CD1 3.87Å; F242-I261 HydrophobicContact CD1-CD1 4.31Å; F242-I261 HydrophobicContact CG-CD1 4.23Å; F242-H266 HydrophobicContact CD2-CB 4.38Å; F242-H266 HydrophobicContact CE2-CB 4.22Å; F242-H266 AromaticContact CE2-CD2 3.95Å; F242-Y267 PolarHBondContact N-O 3.32Å; F242-Y268 HydrophobicContact CB-CD1 3.78Å; F242-Y268 HydrophobicContact CB-CE1 4.08Å; F242-Y268 AromaticContact CD2-CD1 3.88Å; F242-Y268 HydrophobicContact CD2-CD1 3.88Å; F242-Y268 AromaticContact CD2-CE1 3.27Å; F242-Y268 HydrophobicContact CD2-CE1 3.27Å; F242-Y268 AromaticContact CD2-CZ 3.83Å; F242-Y268 AromaticContact CE2-CE1 3.93Å; F242-Y268 HydrophobicContact CE2-CE1 3.93Å; F242-Y268 HydrophobicContact CG-CD1 4.16Å; F242-Y268 AromaticContact CG-CE1 3.92Å; F242-Y268 HydrophobicContact CG-CE1 3.92Å; F242-Y268 WeakPolarHBondContact O-CA 3.5Å; F242-Y269 PolarHBondContact O-N 2.86Å; F242-I332 CarbonylContact C-O 3.55Å; F242-I332 WeakPolarHBondContact CA-O 3.43Å; F242-I332 HydrophobicContact CD1-CB 4.03Å; F242-I332 HydrophobicContact CD1-CG2 4.17Å; F242-I332 HydrophobicContact CE1-CB 4.21Å; F242-I332 HydrophobicContact CE1-CD1 4.31Å; F242-I332 HydrophobicContact CE1-CG2 4.2Å; F242-L334 HydrophobicContact CD1-CD1 3.68Å; F242-L334 HydrophobicContact CD1-CG 4.44Å; F242-L334 HydrophobicContact CE1-CD1 4.17Å; F242-L347 HydrophobicContact CE1-CD2 4.46Å; F242-L347 HydrophobicContact CZ-CD2 4.01Å; F242-F508 HydrophobicContact CE1-CE1 4.46Å; F242-F508 HydrophobicContact CE1-CE2 4.43Å; F242-F508 AromaticContact CE1-CZ 3.73Å; F242-F508 HydrophobicContact CE1-CZ 3.73Å; F242-F508 HydrophobicContact CZ-CZ 4.32Å
243	V	98.9	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.5	174	-178.2	0	0	0	0	109.4	M245 Y269 L320 F331 I332 N333 L334	V243-M245 HydrophobicContact CG1-CE 3.92Å; V243-Y269 CarbonylContact C-O 3.54Å; V243-Y269 VanDerWaalsContact CA-O 3.31Å; V243-Y269 WeakPolarHBondContact CA-O 3.48Å; V243-L320 HydrophobicContact CG2-CD1 3.61Å; V243-F331 HydrophobicContact CB-CE1 4.36Å; V243-F331 HydrophobicContact CB-CE2 4.09Å; V243-F331 HydrophobicContact CB-CZ 3.79Å; V243-F331 HydrophobicContact CG1-CZ 4.2Å; V243-F331 HydrophobicContact CG2-CD2 3.92Å; V243-F331 HydrophobicContact CG2-CE1 4.37Å; V243-F331 HydrophobicContact CG2-CE2 3.35Å; V243-F331 HydrophobicContact CG2-CZ 3.61Å; V243-I332 PolarHBondContact N-O 2.77Å; V243-N333 WeakPolarHBondContact O-CA 3.46Å; V243-L334 PolarHBondContact O-N 3.46Å
244	L	98.9	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111	-176.2	-69.8	84.4	0	0	0	108.9	F242 V246 L254 L257 I258 Y268 Y269 I270 H271 L334	F242-L244 HydrophobicContact CB-CD1 3.87Å; L244-V246 HydrophobicContact CB-CG1 4.03Å; L244-L254 HydrophobicContact CD2-CD1 3.78Å; L244-L257 HydrophobicContact CD2-CD2 4.42Å; L244-I258 HydrophobicContact CD2-CG1 4.07Å; L244-Y268 HydrophobicContact CD1-CD1 4.33Å; L244-Y269 PolarHBondContact N-O 2.66Å; L244-I270 HydrophobicContact CB-CG1 4.26Å; L244-I270 HydrophobicContact CB-CG2 4.19Å; L244-I270 HydrophobicContact CD1-CG1 4.37Å; L244-H271 PolarHBondContact O-N 2.97Å; L244-L334 WeakPolarHBondContact CA-O 3.37Å; L244-L334 HydrophobicContact CG-CB 4.43Å
245	M	98.6	Very high	96.8	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.059	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	101.8	174.8	-67.1	-68.9	179.9	0	0	108.6	V243 H271 L309 A312 Y313 L334	V243-M245 HydrophobicContact CG1-CE 3.92Å; M245-H271 HydrophobicContact CE-CB 4.43Å; M245-H271 HydrophobicContact SD-CB 3.53Å; M245-H271 VanDerWaalsContact SD-CB 3.53Å; M245-L309 HydrophobicContact CG-CD1 4.44Å; M245-A312 HydrophobicContact CE-CB 3.76Å; M245-A312 HydrophobicContact SD-CB 4.21Å; M245-Y313 HydrophobicContact CE-CD1 3.36Å; M245-Y313 HydrophobicContact CE-CE1 3.61Å; M245-Y313 HydrophobicContact CE-CG 4.09Å; M245-Y313 HydrophobicContact CG-CD1 4.38Å; M245-Y313 HydrophobicContact CG-CE1 3.61Å; M245-Y313 HydrophobicContact SD-CE1 4.42Å; M245-L334 PolarHBondContact N-O 2.85Å
246	V	98.8	Very high	97.8	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.2	-167.7	-53.6	0	0	0	0	113.8	L244 L254 I270 H271 V272 D273 M279 A336	L244-V246 HydrophobicContact CB-CG1 4.03Å; V246-L254 HydrophobicContact CB-CD2 4.31Å; V246-L254 HydrophobicContact CG1-CD1 3.9Å; V246-L254 HydrophobicContact CG1-CD2 4.19Å; V246-L254 HydrophobicContact CG2-CD2 3.99Å; V246-I270 HydrophobicContact CG2-CG2 3.85Å; V246-H271 VanDerWaalsContact CG2-O 3.3Å; V246-H271 WeakPolarHBondContact CG2-O 3.29Å; V246-H271 PolarHBondContact N-O 3.49Å; V246-V272 HydrophobicContact CG2-CB 4.36Å; V246-V272 HydrophobicContact CG2-CG1 4.4Å; V246-V272 HydrophobicContact CG2-CG2 3.81Å; V246-V272 WeakPolarHBondContact O-CA 3.45Å; V246-D273 PolarHBondContact O-N 3.15Å; V246-M279 HydrophobicContact CB-SD 3.68Å; V246-M279 HydrophobicContact CG2-CG 4.16Å; V246-M279 HydrophobicContact CG2-SD 3.53Å; V246-M279 VanDerWaalsContact CG2-SD 3.53Å; V246-A336 HydrophobicContact CB-CB 4.24Å; V246-A336 HydrophobicContact CG1-CB 3.94Å
247	H	98.3	Very high	98.3	Very high	123 Å²	123	23.4 Å²	23.4	57%	0.569	12%	0.118	S	C	*	.			trans	-155.7	168.2	178.7	63.9	-90.2	0	0	0	110.7	D273 S276 M279	H247-D273 HydrophobicContact CB-CB 3.69Å; H247-S276 WeakPolarHBondContact CA-OG 3.09Å; H247-M279 PolarHBondContact N-SD 2.83Å; H247-M279 WeakPolarHBondContact O-CE 3.46Å
248	G	96.8	Very high	98.5	Very high	28 Å²	28	20.2 Å²	20.2	29%	0.289	10%	0.097	S	C	.	.	S	Bend	trans	88.6	-147.2	177.8	0	0	0	0	0	112.9	S276	G248-S276 PolarHBondContact N-OG 3.17Å
249	R	97.6	Very high	98.5	Very high	54 Å²	54	21.2 Å²	21.2	20%	0.204	10%	0.101	C	C	.	.	S	Bend	trans	-121.5	-9.3	-170	-58.2	-58.4	-70.1	-158.4	4.1	115.3	V251 Y278 E544 S545 D551	R249-V251 PolarHBondContact O-N 2.93Å; R249-Y278 VanDerWaalsContact CZ-CB 3.43Å; R249-E544 HydrophobicContact CB-CG 3.8Å; R249-S545 VanDerWaalsContact CB-O 3.28Å; R249-S545 WeakPolarHBondContact CB-O 3.49Å; R249-S545 WeakPolarHBondContact CG-O 3.41Å; R249-S545 PolarHBondContact NE-O 2.73Å; R249-S545 PolarHBondContact NH2-O 3.47Å; R249-S545 PolarHBondContact NH2-OG 2.88Å; R249-D551 IonicContact CZ-OD2 3.69Å; R249-D551 IonicContact NH1-OD2 3.72Å; R249-D551 PolarHBondContact NH1-OD2 3.04Å; R249-D551 IonicContact NH2-OD2 2.63Å; R249-D551 PolarHBondContact NH2-OD2 2.79Å
250	A	98.3	Very high	98.5	Very high	25 Å²	25	16.8 Å²	16.8	21%	0.207	9%	0.085	C	C	.	.			trans	-72.1	50.9	-172.3	0	0	0	0	0	115.5	R252 Q253 L254 E544	A250-R252 VanDerWaalsContact C-N 3.34Å; A250-R252 PolarHBondContact O-N 3.23Å; A250-Q253 HydrophobicContact CB-CB 4.34Å; A250-Q253 PolarHBondContact O-N 2.82Å; A250-L254 PolarHBondContact O-N 3.2Å; A250-E544 WeakPolarHBondContact CA-OE2 3.37Å; A250-E544 WeakPolarHBondContact CB-OE2 3.36Å
251	V	98.6	Very high	98.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-61.2	-38.5	-175.8	168.8	0	0	0	0	112.4	R249 Q253 L254 R255 Y278 M279 E282	R249-V251 PolarHBondContact O-N 2.93Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 2.79Å; V251-L254 PolarHBondContact O-N 3.11Å; V251-R255 PolarHBondContact O-N 2.81Å; V251-Y278 HydrophobicContact CB-CE1 4.04Å; V251-Y278 HydrophobicContact CG2-CD1 3.96Å; V251-Y278 HydrophobicContact CG2-CE1 3.45Å; V251-Y278 VanDerWaalsContact CG2-CE1 3.45Å; V251-M279 HydrophobicContact CG2-CB 4.21Å; V251-M279 HydrophobicContact CG2-CE 4.35Å; V251-M279 HydrophobicContact CG2-CG 4.27Å; V251-E282 HydrophobicContact CB-CB 4.46Å; V251-E282 HydrophobicContact CB-CG 4.48Å; V251-E282 HydrophobicContact CG1-CB 3.6Å; V251-E282 HydrophobicContact CG1-CG 3.83Å; V251-E282 HydrophobicContact CG2-CB 4Å; V251-E282 HydrophobicContact CG2-CG 4.04Å
252	R	98.6	Very high	98.5	Very high	31 Å²	31	17.4 Å²	17.4	12%	0.117	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-38.2	178.3	-63.9	-163.8	-176.6	-141.8	5.1	112.1	A250 R255 R256 Y542 W543 S850 D854 S857	A250-R252 VanDerWaalsContact C-N 3.34Å; A250-R252 PolarHBondContact O-N 3.23Å; R252-R255 PolarHBondContact O-N 3.11Å; R252-R256 WeakPolarHBondContact O-CB 3.5Å; R252-R256 PolarHBondContact O-N 3.26Å; R252-Y542 HydrophobicContact CB-CE2 3.93Å; R252-W543 WeakPolarHBondContact CD-O 3.5Å; R252-W543 VanDerWaalsContact NH1-CE3 3.28Å; R252-S850 PolarHBondContact NH2-O 3.07Å; R252-D854 WeakPolarHBondContact CD-OD2 3.43Å; R252-D854 IonicContact CZ-OD2 2.85Å; R252-D854 IonicContact NE-OD2 3.77Å; R252-D854 VanDerWaalsContact NH1-CB 3.3Å; R252-D854 IonicContact NH1-OD2 3.72Å; R252-D854 PolarHBondContact NH1-OD2 2.98Å; R252-S857 WeakPolarHBondContact O-CB 3.39Å
253	Q	98.6	Very high	98.5	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-69.8	-36.5	173.1	179.2	53.9	20.6	0	0	112	A250 V251 R256 L257 S514 Y542	A250-Q253 HydrophobicContact CB-CB 4.34Å; A250-Q253 PolarHBondContact O-N 2.82Å; V251-Q253 VanDerWaalsContact C-N 3.35Å; V251-Q253 PolarHBondContact O-N 2.79Å; Q253-R256 PolarHBondContact O-N 3.36Å; Q253-L257 WeakPolarHBondContact O-CB 3.48Å; Q253-L257 PolarHBondContact O-N 2.66Å; Q253-S514 PolarHBondContact OE1-OG 3.37Å; Q253-Y542 HydrophobicContact CB-CE2 4.32Å
254	L	98.8	Very high	98.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-44.1	172.3	178.1	57.8	0	0	0	112	L244 V246 A250 V251 L257 I258 M279 V283 A336	L244-L254 HydrophobicContact CD2-CD1 3.78Å; V246-L254 HydrophobicContact CB-CD2 4.31Å; V246-L254 HydrophobicContact CG1-CD1 3.9Å; V246-L254 HydrophobicContact CG1-CD2 4.19Å; V246-L254 HydrophobicContact CG2-CD2 3.99Å; A250-L254 PolarHBondContact O-N 3.2Å; V251-L254 PolarHBondContact O-N 3.11Å; L254-L257 PolarHBondContact O-N 3.21Å; L254-I258 HydrophobicContact CD1-CD1 4.07Å; L254-I258 HydrophobicContact CD1-CG1 4.3Å; L254-I258 HydrophobicContact CG-CD1 4.06Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 3.04Å; L254-M279 HydrophobicContact CD2-CG 4.39Å; L254-M279 HydrophobicContact CD2-SD 4.41Å; L254-V283 HydrophobicContact CD2-CG2 3.79Å; L254-A336 HydrophobicContact CB-CB 4.48Å; L254-A336 HydrophobicContact CD1-CB 4.37Å
255	R	98.8	Very high	98.4	Very high	41 Å²	41	28.6 Å²	28.6	16%	0.155	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-45.2	172.7	-72	-175.9	172.2	127.7	7.5	111.2	V251 R252 L257 I258 K259 E282 I286 S857 L859	V251-R255 PolarHBondContact O-N 2.81Å; R252-R255 PolarHBondContact O-N 3.11Å; R255-L257 PolarHBondContact O-N 3.14Å; R255-I258 PolarHBondContact O-N 3.27Å; R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 PolarHBondContact O-N 2.8Å; R255-E282 IonicContact CZ-OE2 3.13Å; R255-E282 IonicContact NH1-OE2 2.7Å; R255-E282 PolarHBondContact NH1-OE2 3.01Å; R255-E282 VanDerWaalsContact NH1-OE2 3.14Å; R255-E282 IonicContact NH2-OE2 3.15Å; R255-E282 PolarHBondContact NH2-OE2 3.19Å; R255-I286 HydrophobicContact CG-CD1 3.69Å; R255-I286 HydrophobicContact CG-CG1 4.46Å; R255-S857 WeakPolarHBondContact CB-O 3.17Å; R255-S857 VanDerWaalsContact CD-O 3.31Å; R255-S857 WeakPolarHBondContact CD-O 3.32Å; R255-L859 HydrophobicContact CB-CD1 4.43Å; R255-L859 HydrophobicContact CB-CD2 4.1Å; R255-L859 HydrophobicContact CB-CG 4.18Å; R255-L859 HydrophobicContact CG-CD1 4.13Å; R255-L859 HydrophobicContact CG-CG 4.2Å; R255-L859 WeakPolarHBondContact O-CD2 3.38Å
256	R	98.5	Very high	98.4	Very high	5 Å²	5	28.2 Å²	28.2	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-42.8	176.4	-169.4	179.2	-171.7	168	7.9	112.9	R252 Q253 K259 A260 F339 D522 D525	R252-R256 WeakPolarHBondContact O-CB 3.5Å; R252-R256 PolarHBondContact O-N 3.26Å; Q253-R256 PolarHBondContact O-N 3.36Å; R256-K259 PolarHBondContact O-N 2.71Å; R256-A260 PolarHBondContact O-N 3.37Å; R256-F339 HydrophobicContact CG-CE2 4.37Å; R256-D522 IonicContact CZ-OD1 2.69Å; R256-D522 IonicContact NH1-OD1 2.79Å; R256-D522 PolarHBondContact NH1-OD1 3.27Å; R256-D522 IonicContact NH2-OD1 3.93Å; R256-D522 PolarHBondContact NH2-OD1 2.91Å; R256-D525 IonicContact NH2-OD2 3.22Å
257	L	98.8	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-52.1	173.1	171.4	58.9	0	0	0	110.9	L244 Q253 L254 R255 K259 A260 I261 S335 D338 F339	L244-L257 HydrophobicContact CD2-CD2 4.42Å; Q253-L257 WeakPolarHBondContact O-CB 3.48Å; Q253-L257 PolarHBondContact O-N 2.66Å; L254-L257 PolarHBondContact O-N 3.21Å; R255-L257 PolarHBondContact O-N 3.14Å; L257-K259 VanDerWaalsContact C-N 3.32Å; L257-K259 PolarHBondContact O-N 3.1Å; L257-A260 PolarHBondContact O-N 2.8Å; L257-A260 VanDerWaalsContact O-N 3.14Å; L257-I261 HydrophobicContact CD1-CG2 3.94Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.19Å; L257-S335 WeakPolarHBondContact CD2-O 3.41Å; L257-D338 WeakPolarHBondContact CD1-O 3.33Å; L257-F339 HydrophobicContact CD1-CD2 4.23Å
258	I	98.8	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-55.3	-48.8	177.4	-69.5	167.8	0	0	0	109.9	L244 L254 R255 A260 I261 Y262 I270 I286	L244-I258 HydrophobicContact CD2-CG1 4.07Å; L254-I258 HydrophobicContact CD1-CD1 4.07Å; L254-I258 HydrophobicContact CD1-CG1 4.3Å; L254-I258 HydrophobicContact CG-CD1 4.06Å; L254-I258 WeakPolarHBondContact O-CG1 3.35Å; L254-I258 PolarHBondContact O-N 3.04Å; R255-I258 PolarHBondContact O-N 3.27Å; I258-A260 VanDerWaalsContact C-N 3.29Å; I258-A260 PolarHBondContact O-N 2.8Å; I258-I261 PolarHBondContact O-N 3.01Å; I258-I261 VanDerWaalsContact O-N 3.1Å; I258-Y262 WeakPolarHBondContact O-CA 3.49Å; I258-Y262 WeakPolarHBondContact O-CB 3.32Å; I258-Y262 PolarHBondContact O-N 2.72Å; I258-I270 HydrophobicContact CD1-CD1 3.9Å; I258-I286 HydrophobicContact CD1-CD1 4.45Å; I258-I286 HydrophobicContact CD1-CG2 4.22Å
259	K	98.6	Very high	98.6	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.096	10%	0.099	C	C	.	.	H	α-helix	trans	-53.4	-44.2	177.5	-164.4	171.1	-172.8	160.2	0	112.3	R255 R256 L257 P855 E858 L859 I868 R869	R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 PolarHBondContact O-N 2.8Å; R256-K259 PolarHBondContact O-N 2.71Å; L257-K259 VanDerWaalsContact C-N 3.32Å; L257-K259 PolarHBondContact O-N 3.1Å; K259-P855 PolarHBondContact NZ-O 3.01Å; K259-E858 WeakPolarHBondContact CD-O 3.41Å; K259-E858 WeakPolarHBondContact CE-O 3.15Å; K259-E858 PolarHBondContact NZ-O 2.78Å; K259-L859 HydrophobicContact CB-CD2 3.9Å; K259-L859 HydrophobicContact CG-CD2 4.39Å; K259-I868 WeakPolarHBondContact CE-O 3.37Å; K259-I868 HydrophobicContact CG-CG1 4.17Å; K259-R869 HydrophobicContact CG-CB 4.01Å; K259-R869 WeakPolarHBondContact O-CB 3.18Å
260	A	98.6	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-35.6	177.8	0	0	0	0	0	114	R256 L257 I258 F339 P340 Y529 R867	R256-A260 PolarHBondContact O-N 3.37Å; L257-A260 PolarHBondContact O-N 2.8Å; L257-A260 VanDerWaalsContact O-N 3.14Å; I258-A260 VanDerWaalsContact C-N 3.29Å; I258-A260 PolarHBondContact O-N 2.8Å; A260-F339 HydrophobicContact CB-CE2 4.28Å; A260-F339 HydrophobicContact CB-CZ 3.94Å; A260-P340 HydrophobicContact CB-CG 3.94Å; A260-Y529 HydrophobicContact CB-CE2 3.94Å; A260-Y529 PolarHBondContact O-OH 2.81Å; A260-Y529 VanDerWaalsContact O-OH 3.11Å; A260-R867 PolarHBondContact O-NH1 2.93Å; A260-R867 PolarHBondContact O-NH2 3.21Å
261	I	98.7	Very high	98.7	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.041	8%	0.08	C	C	.	.	H	α-helix	trans	-96.3	-9.1	-177.7	69.8	171.6	0	0	0	114.6	F242 L257 I258 Y268 L334 P340 F508	F242-I261 HydrophobicContact CD1-CD1 4.31Å; F242-I261 HydrophobicContact CG-CD1 4.23Å; L257-I261 HydrophobicContact CD1-CG2 3.94Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.19Å; I258-I261 PolarHBondContact O-N 3.01Å; I258-I261 VanDerWaalsContact O-N 3.1Å; I261-Y268 HydrophobicContact CD1-CD1 4.1Å; I261-Y268 HydrophobicContact CD1-CE1 3.81Å; I261-Y268 HydrophobicContact CG1-CD1 4.42Å; I261-Y268 HydrophobicContact CG1-CE1 3.78Å; I261-Y268 PolarHBondContact O-OH 2.75Å; I261-L334 HydrophobicContact CD1-CD1 3.63Å; I261-P340 HydrophobicContact CG2-CB 4.48Å; I261-P340 HydrophobicContact CG2-CG 4.08Å; I261-F508 HydrophobicContact CG2-CE1 3.99Å
262	Y	98.8	Very high	98.7	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.02	8%	0.079	C	C	.	.			trans	-70	128.3	-172.7	-176.8	-85.2	0	0	0	113.2	I258 Y268 Y290 N292 V293 V862 R867 I868	I258-Y262 WeakPolarHBondContact O-CA 3.49Å; I258-Y262 WeakPolarHBondContact O-CB 3.32Å; I258-Y262 PolarHBondContact O-N 2.72Å; Y262-Y268 VanDerWaalsContact CA-OH 3.24Å; Y262-Y268 WeakPolarHBondContact CA-OH 3.47Å; Y262-Y268 HydrophobicContact CD2-CD2 4.26Å; Y262-Y268 AromaticContact CD2-CE2 3.87Å; Y262-Y268 HydrophobicContact CD2-CE2 3.87Å; Y262-Y268 HydrophobicContact CE2-CD2 4.46Å; Y262-Y268 HydrophobicContact CE2-CE2 4.21Å; Y262-Y290 HydrophobicContact CE1-CD1 4.48Å; Y262-Y290 AromaticContact CE2-CD1 3.77Å; Y262-Y290 HydrophobicContact CE2-CD1 3.77Å; Y262-Y290 HydrophobicContact CE2-CE1 4.38Å; Y262-Y290 AromaticContact CE2-CG 3.97Å; Y262-Y290 HydrophobicContact CE2-CG 3.97Å; Y262-Y290 AromaticContact CZ-CD1 3.67Å; Y262-N292 VanDerWaalsContact CE2-OD1 3.32Å; Y262-N292 WeakPolarHBondContact CE2-OD1 3.24Å; Y262-N292 PolarHBondContact OH-ND2 2.95Å; Y262-N292 PolarHBondContact OH-OD1 2.85Å; Y262-V293 HydrophobicContact CE2-CG2 4.19Å; Y262-V862 HydrophobicContact CE1-CG1 4.2Å; Y262-V862 HydrophobicContact CE1-CG2 3.77Å; Y262-R867 WeakPolarHBondContact O-CD 3.48Å; Y262-R867 PolarHBondContact O-NH1 2.92Å; Y262-I868 HydrophobicContact CD1-CB 4.42Å; Y262-I868 HydrophobicContact CD1-CD1 4.08Å; Y262-I868 HydrophobicContact CD1-CG1 3.77Å; Y262-I868 HydrophobicContact CD1-CG2 4Å; Y262-I868 HydrophobicContact CD2-CD1 4.27Å; Y262-I868 HydrophobicContact CE1-CG2 4.18Å; Y262-I868 HydrophobicContact CG-CD1 3.77Å; Y262-I868 HydrophobicContact CG-CG1 3.83Å
263	H	98.7	Very high	98.7	Very high	45 Å²	45	17.1 Å²	17.1	21%	0.208	7%	0.074	C	C	.	.			trans	-139.9	150.4	161.6	-170	-96.6	0	0	0	110	D265 H266 Y268 N292 D865 G866	H263-D265 IonicContact CE1-OD2 2.75Å; H263-D265 PolarHBondContact CE1-OD2 3.12Å; H263-D265 PolarHBondContact ND1-N 3.17Å; H263-D265 IonicContact ND1-OD2 3.37Å; H263-D265 PolarHBondContact O-N 2.92Å; H263-H266 PolarHBondContact O-N 3.31Å; H263-Y268 PolarHBondContact N-OH 2.81Å; H263-N292 PolarHBondContact O-ND2 3.29Å; H263-N292 VanDerWaalsContact O-ND2 3.1Å; H263-D865 VanDerWaalsContact NE2-C 3.33Å; H263-D865 PolarHBondContact NE2-O 2.99Å; H263-G866 CarbonylContact C-O 3.32Å; H263-G866 WeakPolarHBondContact CA-O 3.35Å
264	R	98.2	Very high	98.7	Very high	118 Å²	118	23.4 Å²	23.4	45%	0.445	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32	-175.6	83.2	177.1	78.6	-165.6	5.9	113.9	N292 V862 K863 S864 G866	R264-N292 PolarHBondContact O-ND2 3.1Å; R264-V862 HydrophobicContact CB-CG1 4.4Å; R264-K863 PolarHBondContact NH2-O 3.13Å; R264-S864 PolarHBondContact NH2-O 2.76Å; R264-G866 PolarHBondContact N-O 2.88Å; R264-G866 VanDerWaalsContact NE-CA 3.32Å
265	D	97.9	Very high	98.5	Very high	75 Å²	75	30 Å²	30	40%	0.401	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.5	-172.5	-63.7	-49.1	0	0	0	113.1	R239 H263	R239-D265 WeakPolarHBondContact CB-O 3.27Å; R239-D265 WeakPolarHBondContact CD-O 3.36Å; R239-D265 HydrophobicContact CG-CB 4.2Å; R239-D265 WeakPolarHBondContact CG-O 3.48Å; H263-D265 IonicContact CE1-OD2 2.75Å; H263-D265 PolarHBondContact CE1-OD2 3.12Å; H263-D265 PolarHBondContact ND1-N 3.17Å; H263-D265 IonicContact ND1-OD2 3.37Å; H263-D265 PolarHBondContact O-N 2.92Å
266	H	98.8	Very high	98.5	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	12%	0.124	C	C	.	.	S	Bend	trans	-89.2	168.4	174.1	-65.1	-29.9	0	0	0	111.6	V240 F242 H263 Y268 N292 N344 V348	V240-H266 PolarHBondContact N-ND1 2.81Å; V240-H266 WeakPolarHBondContact O-CB 3.47Å; F242-H266 HydrophobicContact CD2-CB 4.38Å; F242-H266 HydrophobicContact CE2-CB 4.22Å; F242-H266 AromaticContact CE2-CD2 3.95Å; H263-H266 PolarHBondContact O-N 3.31Å; H266-Y268 HydrophobicContact CB-CE2 3.91Å; H266-Y268 VanDerWaalsContact CB-OH 3.27Å; H266-Y268 WeakPolarHBondContact CB-OH 3.46Å; H266-N292 WeakPolarHBondContact O-CB 3.4Å; H266-N292 PolarHBondContact O-ND2 2.79Å; H266-N344 PolarHBondContact CD2-OD1 3.49Å; H266-N344 VanDerWaalsContact CD2-OD1 3.3Å; H266-N344 PolarHBondContact NE2-OD1 3.34Å; H266-V348 VanDerWaalsContact CE1-CG2 3.47Å; H266-V348 WeakPolarHBondContact CE1-CG2 3.22Å; H266-V348 WeakPolarHBondContact NE2-CG2 3.32Å
267	Y	98.9	Very high	98.4	Very high	25 Å²	25	29.7 Å²	29.7	10%	0.098	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.9	-177.3	-50.8	-79.8	0	0	0	110.8	R239 V240 A241 F242 N292 W326 K327 W328	R239-Y267 HydrophobicContact CB-CE2 4.1Å; V240-Y267 PolarHBondContact O-N 3.42Å; A241-Y267 CarbonylContact C-O 3.59Å; A241-Y267 WeakPolarHBondContact CA-O 3.32Å; F242-Y267 PolarHBondContact N-O 3.32Å; Y267-N292 WeakPolarHBondContact CA-O 3.27Å; Y267-N292 HydrophobicContact CD1-CB 4.3Å; Y267-W326 HydrophobicContact CD1-CB 3.97Å; Y267-W326 AromaticContact CD1-CD1 3.41Å; Y267-W326 VanDerWaalsContact CD1-CD1 3.41Å; Y267-W326 AromaticContact CD1-CD2 3.47Å; Y267-W326 HydrophobicContact CD1-CD2 3.47Å; Y267-W326 VanDerWaalsContact CD1-CD2 3.47Å; Y267-W326 AromaticContact CD1-CE2 3.56Å; Y267-W326 HydrophobicContact CD1-CE3 4.14Å; Y267-W326 AromaticContact CD1-CG 3.38Å; Y267-W326 HydrophobicContact CD1-CG 3.38Å; Y267-W326 HydrophobicContact CD1-CZ2 4.26Å; Y267-W326 AromaticContact CD1-NE1 3.55Å; Y267-W326 HydrophobicContact CD2-CB 4.45Å; Y267-W326 HydrophobicContact CE1-CB 3.95Å; Y267-W326 AromaticContact CE1-CD1 3.36Å; Y267-W326 HydrophobicContact CE1-CD2 4.19Å; Y267-W326 AromaticContact CE1-CG 3.6Å; Y267-W326 HydrophobicContact CE1-CG 3.6Å; Y267-W326 AromaticContact CE1-NE1 3.84Å; Y267-W326 HydrophobicContact CE2-CB 4.42Å; Y267-W326 HydrophobicContact CG-CB 4.2Å; Y267-W326 AromaticContact CG-CD2 3.85Å; Y267-W326 HydrophobicContact CG-CD2 3.85Å; Y267-W326 HydrophobicContact CG-CE3 4.08Å; Y267-W326 AromaticContact CG-CG 3.94Å; Y267-W326 HydrophobicContact CG-CG 3.94Å; Y267-K327 PolarHBondContact OH-N 3.06Å; Y267-K327 VanDerWaalsContact OH-N 3.08Å; Y267-W328 HydrophobicContact CD2-CB 3.82Å; Y267-W328 HydrophobicContact CE2-CB 4.08Å
268	Y	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	108.2	-173.3	-55.3	-88.9	0	0	0	109.9	F242 L244 I261 Y262 H263 H266 N292 V293 R294	F242-Y268 HydrophobicContact CB-CD1 3.78Å; F242-Y268 HydrophobicContact CB-CE1 4.08Å; F242-Y268 AromaticContact CD2-CD1 3.88Å; F242-Y268 HydrophobicContact CD2-CD1 3.88Å; F242-Y268 AromaticContact CD2-CE1 3.27Å; F242-Y268 HydrophobicContact CD2-CE1 3.27Å; F242-Y268 AromaticContact CD2-CZ 3.83Å; F242-Y268 AromaticContact CE2-CE1 3.93Å; F242-Y268 HydrophobicContact CE2-CE1 3.93Å; F242-Y268 HydrophobicContact CG-CD1 4.16Å; F242-Y268 AromaticContact CG-CE1 3.92Å; F242-Y268 HydrophobicContact CG-CE1 3.92Å; F242-Y268 WeakPolarHBondContact O-CA 3.5Å; L244-Y268 HydrophobicContact CD1-CD1 4.33Å; I261-Y268 HydrophobicContact CD1-CD1 4.1Å; I261-Y268 HydrophobicContact CD1-CE1 3.81Å; I261-Y268 HydrophobicContact CG1-CD1 4.42Å; I261-Y268 HydrophobicContact CG1-CE1 3.78Å; I261-Y268 PolarHBondContact O-OH 2.75Å; Y262-Y268 VanDerWaalsContact CA-OH 3.24Å; Y262-Y268 WeakPolarHBondContact CA-OH 3.47Å; Y262-Y268 HydrophobicContact CD2-CD2 4.26Å; Y262-Y268 AromaticContact CD2-CE2 3.87Å; Y262-Y268 HydrophobicContact CD2-CE2 3.87Å; Y262-Y268 HydrophobicContact CE2-CD2 4.46Å; Y262-Y268 HydrophobicContact CE2-CE2 4.21Å; H263-Y268 PolarHBondContact N-OH 2.81Å; H266-Y268 HydrophobicContact CB-CE2 3.91Å; H266-Y268 VanDerWaalsContact CB-OH 3.27Å; H266-Y268 WeakPolarHBondContact CB-OH 3.46Å; Y268-N292 PolarHBondContact N-O 3.08Å; Y268-V293 HydrophobicContact CD2-CG2 3.97Å; Y268-V293 HydrophobicContact CG-CG2 4.26Å; Y268-V293 CarbonylContact O-C 3.56Å; Y268-V293 WeakPolarHBondContact O-CA 3.47Å; Y268-R294 PolarHBondContact O-N 3.47Å
269	Y	98.9	Very high	98.4	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.2	178.8	-159.4	-145.8	0	0	0	109.8	F242 V243 L244 R294 A295 T296 P297 D319 L320 M323	F242-Y269 PolarHBondContact O-N 2.86Å; V243-Y269 CarbonylContact C-O 3.54Å; V243-Y269 VanDerWaalsContact CA-O 3.31Å; V243-Y269 WeakPolarHBondContact CA-O 3.48Å; L244-Y269 PolarHBondContact N-O 2.66Å; Y269-R294 CarbonylContact C-O 3.53Å; Y269-R294 WeakPolarHBondContact CA-O 3.43Å; Y269-R294 HydrophobicContact CD2-CB 3.89Å; Y269-R294 HydrophobicContact CE2-CB 4.22Å; Y269-A295 WeakPolarHBondContact CE2-O 3.23Å; Y269-T296 HydrophobicContact CD1-CG2 4.16Å; Y269-T296 HydrophobicContact CD2-CG2 4.38Å; Y269-T296 HydrophobicContact CE1-CG2 3.78Å; Y269-T296 HydrophobicContact CE2-CG2 4.01Å; Y269-T296 HydrophobicContact CG-CG2 4.44Å; Y269-P297 WeakPolarHBondContact OH-CD 3.43Å; Y269-D319 HydrophobicContact CE1-CB 3.79Å; Y269-D319 PolarHBondContact OH-OD2 3Å; Y269-L320 HydrophobicContact CD1-CD1 4.47Å; Y269-L320 HydrophobicContact CD1-CD2 4.32Å; Y269-L320 HydrophobicContact CD1-CG 4.06Å; Y269-L320 HydrophobicContact CG-CD2 4.47Å; Y269-M323 HydrophobicContact CD2-CE 4.48Å; Y269-M323 HydrophobicContact CE1-CE 4.45Å; Y269-M323 HydrophobicContact CE2-CE 3.86Å
270	I	98.9	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.6	-167.5	-49.5	-179.4	0	0	0	109.6	L244 V246 I258 V272 V283 V293 R294 A295 T296	L244-I270 HydrophobicContact CB-CG1 4.26Å; L244-I270 HydrophobicContact CB-CG2 4.19Å; L244-I270 HydrophobicContact CD1-CG1 4.37Å; V246-I270 HydrophobicContact CG2-CG2 3.85Å; I258-I270 HydrophobicContact CD1-CD1 3.9Å; I270-V272 HydrophobicContact CG2-CG2 4.22Å; I270-V283 HydrophobicContact CB-CG1 3.81Å; I270-V283 HydrophobicContact CD1-CG1 4.17Å; I270-V283 HydrophobicContact CG2-CB 4.48Å; I270-V283 HydrophobicContact CG2-CG1 3.64Å; I270-V283 HydrophobicContact CG2-CG2 3.95Å; I270-V293 HydrophobicContact CD1-CG1 3.82Å; I270-V293 HydrophobicContact CG1-CG1 4.46Å; I270-R294 PolarHBondContact N-O 3.37Å; I270-A295 CarbonylContact O-C 3.58Å; I270-A295 WeakPolarHBondContact O-CA 3.44Å; I270-T296 PolarHBondContact O-N 3Å
271	H	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.4	168.1	172	-88	0	0	0	109.6	L244 M245 V246 T296 W298 M300	L244-H271 PolarHBondContact O-N 2.97Å; M245-H271 HydrophobicContact CE-CB 4.43Å; M245-H271 HydrophobicContact SD-CB 3.53Å; M245-H271 VanDerWaalsContact SD-CB 3.53Å; V246-H271 VanDerWaalsContact CG2-O 3.3Å; V246-H271 WeakPolarHBondContact CG2-O 3.29Å; V246-H271 PolarHBondContact N-O 3.49Å; H271-T296 WeakPolarHBondContact CA-OG1 3.35Å; H271-T296 HydrophobicContact CB-CG2 3.92Å; H271-W298 AromaticContact CD2-CE3 3.97Å; H271-W298 AromaticContact CD2-CH2 3.77Å; H271-W298 AromaticContact CD2-CZ3 3.29Å; H271-W298 WeakPolarHBondContact CD2-CZ3 3.45Å; H271-W298 AromaticContact NE2-CZ3 3.69Å; H271-M300 PolarHBondContact NE2-N 3.49Å
272	V	98.9	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121	174.6	-169.6	0	0	0	0	109.7	V246 I270 K274 M279 H280 V283 R299	V246-V272 HydrophobicContact CG2-CB 4.36Å; V246-V272 HydrophobicContact CG2-CG1 4.4Å; V246-V272 HydrophobicContact CG2-CG2 3.81Å; V246-V272 WeakPolarHBondContact O-CA 3.45Å; I270-V272 HydrophobicContact CG2-CG2 4.22Å; V272-K274 PolarHBondContact O-N 3.4Å; V272-M279 HydrophobicContact CG1-CB 3.99Å; V272-M279 HydrophobicContact CG1-CG 3.89Å; V272-M279 HydrophobicContact CG1-SD 4.35Å; V272-H280 HydrophobicContact CB-CB 4.2Å; V272-H280 HydrophobicContact CG1-CB 4Å; V272-V283 HydrophobicContact CG2-CB 3.93Å; V272-V283 HydrophobicContact CG2-CG1 3.9Å; V272-V283 HydrophobicContact CG2-CG2 3.88Å; V272-R299 WeakPolarHBondContact O-CG 3.49Å; V272-R299 PolarHBondContact O-NE 3.46Å
273	D	98.6	Very high	98.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.158	C	C	.	.			trans	-46.7	135.3	177.2	179.9	-73	0	0	0	111.1	V246 H247 R275 S276 R299 M300 T302	V246-D273 PolarHBondContact O-N 3.15Å; H247-D273 HydrophobicContact CB-CB 3.69Å; D273-R275 PolarHBondContact O-N 3Å; D273-R275 VanDerWaalsContact OD1-CB 3.23Å; D273-R275 WeakPolarHBondContact OD1-CB 3.32Å; D273-R275 WeakPolarHBondContact OD1-CG 3.29Å; D273-R275 IonicContact OD1-CZ 3.14Å; D273-R275 PolarHBondContact OD1-N 3.35Å; D273-R275 IonicContact OD1-NE 2.67Å; D273-R275 PolarHBondContact OD1-NE 3.33Å; D273-R275 IonicContact OD1-NH2 2.66Å; D273-R275 IonicContact OD2-CZ 2.71Å; D273-R275 IonicContact OD2-NE 3.19Å; D273-R275 PolarHBondContact OD2-NE 3.24Å; D273-R275 IonicContact OD2-NH2 3.2Å; D273-R275 PolarHBondContact OD2-NH2 3.18Å; D273-S276 PolarHBondContact O-N 3.11Å; D273-R299 PolarHBondContact O-NH2 3.04Å; D273-M300 WeakPolarHBondContact CA-O 3.33Å; D273-T302 PolarHBondContact OD2-N 3.45Å; D273-T302 PolarHBondContact OD2-OG1 2.7Å
274	K	97.9	Very high	98.3	Very high	135 Å²	135	36.5 Å²	36.5	59%	0.587	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	-172.3	-168.4	179.1	177.2	-175.4	0	113.4	V272 R299 M300 V301	V272-K274 PolarHBondContact O-N 3.4Å; K274-R299 VanDerWaalsContact C-NH2 3.34Å; K274-R299 HydrophobicContact CB-CB 4.2Å; K274-R299 HydrophobicContact CG-CB 4.48Å; K274-R299 PolarHBondContact O-NH2 3.32Å; K274-M300 PolarHBondContact N-O 3.13Å; K274-V301 HydrophobicContact CB-CG2 3.84Å; K274-V301 HydrophobicContact CD-CG2 4.38Å
275	R	96.4	Very high	98.3	Very high	140 Å²	140	34.5 Å²	34.5	53%	0.528	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.6	176.7	-57.9	166.8	-71	-167.9	-8.5	113.4	D273 G277 V301 T302	D273-R275 PolarHBondContact O-N 3Å; D273-R275 VanDerWaalsContact OD1-CB 3.23Å; D273-R275 WeakPolarHBondContact OD1-CB 3.32Å; D273-R275 WeakPolarHBondContact OD1-CG 3.29Å; D273-R275 IonicContact OD1-CZ 3.14Å; D273-R275 PolarHBondContact OD1-N 3.35Å; D273-R275 IonicContact OD1-NE 2.67Å; D273-R275 PolarHBondContact OD1-NE 3.33Å; D273-R275 IonicContact OD1-NH2 2.66Å; D273-R275 IonicContact OD2-CZ 2.71Å; D273-R275 IonicContact OD2-NE 3.19Å; D273-R275 PolarHBondContact OD2-NE 3.24Å; D273-R275 IonicContact OD2-NH2 3.2Å; D273-R275 PolarHBondContact OD2-NH2 3.18Å; R275-G277 VanDerWaalsContact C-N 3.33Å; R275-G277 PolarHBondContact O-N 2.96Å; R275-V301 HydrophobicContact CG-CG1 4.32Å; R275-V301 HydrophobicContact CG-CG2 4.42Å; R275-T302 PolarHBondContact NH2-O 3.34Å
276	S	97.8	Very high	98.3	Very high	16 Å²	16	30.9 Å²	30.9	11%	0.112	14%	0.142	C	C	.	.			trans	-86.2	67.6	-171.6	-56	0	0	0	0	111.9	H247 G248 D273 M279 H280 R299	H247-S276 WeakPolarHBondContact CA-OG 3.09Å; G248-S276 PolarHBondContact N-OG 3.17Å; D273-S276 PolarHBondContact O-N 3.11Å; S276-M279 PolarHBondContact O-N 2.69Å; S276-H280 PolarHBondContact O-N 3.27Å; S276-H280 VanDerWaalsContact O-N 3.12Å; S276-R299 PolarHBondContact O-NH2 2.91Å
277	G	97.1	Very high	98.3	Very high	23 Å²	23	31.8 Å²	31.8	24%	0.237	15%	0.149	C	C	.	.	H	α-helix	trans	-55.5	-54.6	-174.4	0	0	0	0	0	114.6	R275 H280 R281	R275-G277 VanDerWaalsContact C-N 3.33Å; R275-G277 PolarHBondContact O-N 2.96Å; G277-H280 WeakPolarHBondContact O-CB 2.99Å; G277-H280 PolarHBondContact O-N 2.82Å; G277-R281 PolarHBondContact O-N 3.2Å
278	Y	97.7	Very high	98.3	Very high	16 Å²	16	38.1 Å²	38.1	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-53.5	-53.8	174.7	168.2	-120.1	0	0	0	113.5	R249 V251 H280 R281 E282 E548 D551	R249-Y278 VanDerWaalsContact CZ-CB 3.43Å; V251-Y278 HydrophobicContact CB-CE1 4.04Å; V251-Y278 HydrophobicContact CG2-CD1 3.96Å; V251-Y278 HydrophobicContact CG2-CE1 3.45Å; V251-Y278 VanDerWaalsContact CG2-CE1 3.45Å; Y278-H280 PolarHBondContact O-N 2.82Å; Y278-H280 VanDerWaalsContact O-N 3.16Å; Y278-R281 PolarHBondContact O-N 3.41Å; Y278-E282 HydrophobicContact CD2-CG 3.87Å; Y278-E282 HydrophobicContact CE2-CG 3.44Å; Y278-E282 VanDerWaalsContact CE2-CG 3.44Å; Y278-E282 PolarHBondContact O-N 3.17Å; Y278-E282 VanDerWaalsContact O-N 3.08Å; Y278-E548 HydrophobicContact CD2-CG 3.6Å; Y278-E548 HydrophobicContact CE2-CG 3.9Å; Y278-E548 HydrophobicContact CG-CG 4.24Å; Y278-D551 PolarHBondContact N-OD1 2.82Å
279	M	98.5	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-32.3	-179.9	-177.4	171.6	-78.6	0	0	112.2	V246 H247 V251 L254 V272 S276 V283	V246-M279 HydrophobicContact CB-SD 3.68Å; V246-M279 HydrophobicContact CG2-CG 4.16Å; V246-M279 HydrophobicContact CG2-SD 3.53Å; V246-M279 VanDerWaalsContact CG2-SD 3.53Å; H247-M279 PolarHBondContact N-SD 2.83Å; H247-M279 WeakPolarHBondContact O-CE 3.46Å; V251-M279 HydrophobicContact CG2-CB 4.21Å; V251-M279 HydrophobicContact CG2-CE 4.35Å; V251-M279 HydrophobicContact CG2-CG 4.27Å; L254-M279 HydrophobicContact CD2-CG 4.39Å; L254-M279 HydrophobicContact CD2-SD 4.41Å; V272-M279 HydrophobicContact CG1-CB 3.99Å; V272-M279 HydrophobicContact CG1-CG 3.89Å; V272-M279 HydrophobicContact CG1-SD 4.35Å; S276-M279 PolarHBondContact O-N 2.69Å; M279-V283 HydrophobicContact CG-CG2 4.36Å; M279-V283 VanDerWaalsContact O-CB 3.31Å; M279-V283 WeakPolarHBondContact O-CB 3.49Å; M279-V283 VanDerWaalsContact O-CG2 3.22Å; M279-V283 WeakPolarHBondContact O-CG2 3.02Å; M279-V283 PolarHBondContact O-N 2.82Å
280	H	98.6	Very high	98.1	Very high	40 Å²	40	43 Å²	43	19%	0.185	20%	0.202	C	C	.	.	H	α-helix	trans	-68.6	-43.3	175.3	-178.6	-108.8	0	0	0	112.6	V272 S276 G277 Y278 E282 V283 L284 R299	V272-H280 HydrophobicContact CB-CB 4.2Å; V272-H280 HydrophobicContact CG1-CB 4Å; S276-H280 PolarHBondContact O-N 3.27Å; S276-H280 VanDerWaalsContact O-N 3.12Å; G277-H280 WeakPolarHBondContact O-CB 2.99Å; G277-H280 PolarHBondContact O-N 2.82Å; Y278-H280 PolarHBondContact O-N 2.82Å; Y278-H280 VanDerWaalsContact O-N 3.16Å; H280-E282 VanDerWaalsContact C-N 3.31Å; H280-E282 PolarHBondContact O-N 2.88Å; H280-V283 PolarHBondContact O-N 3.47Å; H280-L284 WeakPolarHBondContact O-CG 3.44Å; H280-L284 PolarHBondContact O-N 3.02Å; H280-R299 VanDerWaalsContact CD2-CD 3.47Å; H280-R299 WeakPolarHBondContact CD2-CD 3.31Å
281	R	98.3	Very high	98	Very high	69 Å²	69	48.6 Å²	48.6	26%	0.26	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-42.8	175.2	-65.4	-171.1	-65.3	-87.7	-0.2	111.6	G277 Y278 L284 Q285 D551	G277-R281 PolarHBondContact O-N 3.2Å; Y278-R281 PolarHBondContact O-N 3.41Å; R281-L284 PolarHBondContact O-N 2.95Å; R281-Q285 PolarHBondContact O-N 3.2Å; R281-Q285 PolarHBondContact O-NE2 3.22Å; R281-D551 IonicContact CZ-OD1 2.69Å; R281-D551 VanDerWaalsContact CZ-OD1 3.22Å; R281-D551 IonicContact NH1-OD1 3.16Å; R281-D551 PolarHBondContact NH1-OD1 3.05Å; R281-D551 VanDerWaalsContact NH2-CG 3.31Å; R281-D551 IonicContact NH2-OD1 3.34Å; R281-D551 PolarHBondContact NH2-OD1 2.94Å; R281-D551 IonicContact NH2-OD2 2.74Å; R281-D551 PolarHBondContact NH2-OD2 3.25Å
282	E	98.4	Very high	98	Very high	30 Å²	30	49 Å²	49	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-71.9	-33.7	179.7	-62.7	-67	108.7	0	0	112.5	V251 R255 Y278 H280 Q285 I286	V251-E282 HydrophobicContact CB-CB 4.46Å; V251-E282 HydrophobicContact CB-CG 4.48Å; V251-E282 HydrophobicContact CG1-CB 3.6Å; V251-E282 HydrophobicContact CG1-CG 3.83Å; V251-E282 HydrophobicContact CG2-CB 4Å; V251-E282 HydrophobicContact CG2-CG 4.04Å; R255-E282 IonicContact CZ-OE2 3.13Å; R255-E282 IonicContact NH1-OE2 2.7Å; R255-E282 PolarHBondContact NH1-OE2 3.01Å; R255-E282 VanDerWaalsContact NH1-OE2 3.14Å; R255-E282 IonicContact NH2-OE2 3.15Å; R255-E282 PolarHBondContact NH2-OE2 3.19Å; Y278-E282 HydrophobicContact CD2-CG 3.87Å; Y278-E282 HydrophobicContact CE2-CG 3.44Å; Y278-E282 VanDerWaalsContact CE2-CG 3.44Å; Y278-E282 PolarHBondContact O-N 3.17Å; Y278-E282 VanDerWaalsContact O-N 3.08Å; H280-E282 VanDerWaalsContact C-N 3.31Å; H280-E282 PolarHBondContact O-N 2.88Å; E282-Q285 PolarHBondContact OE1-NE2 2.03Å; E282-I286 WeakPolarHBondContact O-CD1 3.47Å; E282-I286 VanDerWaalsContact O-CG1 3.25Å; E282-I286 WeakPolarHBondContact O-CG1 3.05Å; E282-I286 PolarHBondContact O-N 3.37Å
283	V	98.8	Very high	98	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-35	174.7	161.7	0	0	0	0	112.3	L254 I270 V272 M279 H280 I286 A287 A295	L254-V283 HydrophobicContact CD2-CG2 3.79Å; I270-V283 HydrophobicContact CB-CG1 3.81Å; I270-V283 HydrophobicContact CD1-CG1 4.17Å; I270-V283 HydrophobicContact CG2-CB 4.48Å; I270-V283 HydrophobicContact CG2-CG1 3.64Å; I270-V283 HydrophobicContact CG2-CG2 3.95Å; V272-V283 HydrophobicContact CG2-CB 3.93Å; V272-V283 HydrophobicContact CG2-CG1 3.9Å; V272-V283 HydrophobicContact CG2-CG2 3.88Å; M279-V283 HydrophobicContact CG-CG2 4.36Å; M279-V283 VanDerWaalsContact O-CB 3.31Å; M279-V283 WeakPolarHBondContact O-CB 3.49Å; M279-V283 VanDerWaalsContact O-CG2 3.22Å; M279-V283 WeakPolarHBondContact O-CG2 3.02Å; M279-V283 PolarHBondContact O-N 2.82Å; H280-V283 PolarHBondContact O-N 3.47Å; V283-I286 PolarHBondContact O-N 2.62Å; V283-A287 PolarHBondContact O-N 3.2Å; V283-A295 HydrophobicContact CG1-CB 4.07Å
284	L	98.6	Very high	98	Very high	69 Å²	69	52.8 Å²	52.8	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-48	173	-71.7	173.5	0	0	0	111.4	H280 R281 I286 A287 E288 A295	H280-L284 WeakPolarHBondContact O-CG 3.44Å; H280-L284 PolarHBondContact O-N 3.02Å; R281-L284 PolarHBondContact O-N 2.95Å; L284-I286 PolarHBondContact O-N 2.79Å; L284-A287 PolarHBondContact O-N 3.28Å; L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 2.93Å; L284-A295 HydrophobicContact CD2-CB 3.94Å
285	Q	98.1	Very high	98.1	Very high	75 Å²	75	47.3 Å²	47.3	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-32.6	175.3	-65.2	164.6	37.7	0	0	112.9	R281 E282 Q289	R281-Q285 PolarHBondContact O-N 3.2Å; R281-Q285 PolarHBondContact O-NE2 3.22Å; E282-Q285 PolarHBondContact OE1-NE2 2.03Å; Q285-Q289 VanDerWaalsContact O-CG 3.32Å; Q285-Q289 WeakPolarHBondContact O-CG 3.32Å; Q285-Q289 PolarHBondContact O-NE2 2.88Å
286	I	98.3	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-74.2	-38.2	176.4	-63.4	163.1	0	0	0	110.7	R255 I258 E282 V283 L284 E288 Q289 Y290 V293 L859	R255-I286 HydrophobicContact CG-CD1 3.69Å; R255-I286 HydrophobicContact CG-CG1 4.46Å; I258-I286 HydrophobicContact CD1-CD1 4.45Å; I258-I286 HydrophobicContact CD1-CG2 4.22Å; E282-I286 WeakPolarHBondContact O-CD1 3.47Å; E282-I286 VanDerWaalsContact O-CG1 3.25Å; E282-I286 WeakPolarHBondContact O-CG1 3.05Å; E282-I286 PolarHBondContact O-N 3.37Å; V283-I286 PolarHBondContact O-N 2.62Å; L284-I286 PolarHBondContact O-N 2.79Å; I286-E288 VanDerWaalsContact C-N 3.34Å; I286-Q289 PolarHBondContact O-N 2.92Å; I286-Y290 WeakPolarHBondContact O-CD2 3.35Å; I286-V293 HydrophobicContact CG2-CG1 4.31Å; I286-L859 HydrophobicContact CB-CD1 4.44Å; I286-L859 HydrophobicContact CD1-CD1 4.33Å; I286-L859 HydrophobicContact CG1-CD1 3.94Å; I286-L859 HydrophobicContact CG2-CD1 3.72Å
287	A	98.3	Very high	98.1	Very high	22 Å²	22	45.6 Å²	45.6	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-33.4	175.1	0	0	0	0	0	112.7	V283 L284 Q289 V293	V283-A287 PolarHBondContact O-N 3.2Å; L284-A287 PolarHBondContact O-N 3.28Å; A287-Q289 PolarHBondContact O-N 2.88Å; A287-V293 HydrophobicContact CB-CG1 4.34Å
288	E	97.7	Very high	98.2	Very high	159 Å²	159	46.7 Å²	46.7	74%	0.743	24%	0.239	S	C	*	.	H	α-helix	trans	-65.2	-24.6	174.2	-72.1	165.3	-172.8	0	0	113.2	L284 I286	L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 2.93Å; I286-E288 VanDerWaalsContact C-N 3.34Å
289	Q	97.4	Very high	98.2	Very high	97 Å²	97	49 Å²	49	45%	0.453	25%	0.248	S	C	.	.	H	α-helix	trans	-83.6	-22.4	-178.3	-71.7	165.6	33.9	0	0	114.3	Q285 I286 A287	Q285-Q289 VanDerWaalsContact O-CG 3.32Å; Q285-Q289 WeakPolarHBondContact O-CG 3.32Å; Q285-Q289 PolarHBondContact O-NE2 2.88Å; I286-Q289 PolarHBondContact O-N 2.92Å; A287-Q289 PolarHBondContact O-N 2.88Å
290	Y	98.1	Very high	98.2	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.035	26%	0.257	C	S	.	.			trans	-139.3	119.7	-169.7	-59.2	-79.3	0	0	0	112.1	Y262 I286 N292 V293 L859 G860 V862 I868	Y262-Y290 HydrophobicContact CE1-CD1 4.48Å; Y262-Y290 AromaticContact CE2-CD1 3.77Å; Y262-Y290 HydrophobicContact CE2-CD1 3.77Å; Y262-Y290 HydrophobicContact CE2-CE1 4.38Å; Y262-Y290 AromaticContact CE2-CG 3.97Å; Y262-Y290 HydrophobicContact CE2-CG 3.97Å; Y262-Y290 AromaticContact CZ-CD1 3.67Å; I286-Y290 WeakPolarHBondContact O-CD2 3.35Å; Y290-N292 PolarHBondContact O-N 2.96Å; Y290-V293 HydrophobicContact CD2-CG2 4.29Å; Y290-V293 HydrophobicContact CG-CG2 4.2Å; Y290-V293 PolarHBondContact O-N 3.13Å; Y290-L859 HydrophobicContact CE2-CB 4.18Å; Y290-L859 HydrophobicContact CE2-CD1 4.12Å; Y290-L859 WeakPolarHBondContact OH-CB 3.2Å; Y290-G860 PolarHBondContact OH-N 2.75Å; Y290-G860 PolarHBondContact OH-O 3.37Å; Y290-V862 HydrophobicContact CD1-CG2 4.03Å; Y290-V862 HydrophobicContact CE1-CG2 3.94Å; Y290-I868 HydrophobicContact CE1-CD1 4.34Å; Y290-I868 HydrophobicContact CE1-CG2 4.11Å
291	P	96.9	Very high	98.2	Very high	119 Å²	119	50.1 Å²	50.1	77%	0.773	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	-174.1	28.2	-36.2	0	0	0	114.4
292	N	98.5	Very high	98.1	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.048	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.3	174.7	65.7	-32.6	0	0	0	113.7	Y262 H263 R264 H266 Y267 Y268 Y290 W326	Y262-N292 VanDerWaalsContact CE2-OD1 3.32Å; Y262-N292 WeakPolarHBondContact CE2-OD1 3.24Å; Y262-N292 PolarHBondContact OH-ND2 2.95Å; Y262-N292 PolarHBondContact OH-OD1 2.85Å; H263-N292 PolarHBondContact O-ND2 3.29Å; H263-N292 VanDerWaalsContact O-ND2 3.1Å; R264-N292 PolarHBondContact O-ND2 3.1Å; H266-N292 WeakPolarHBondContact O-CB 3.4Å; H266-N292 PolarHBondContact O-ND2 2.79Å; Y267-N292 WeakPolarHBondContact CA-O 3.27Å; Y267-N292 HydrophobicContact CD1-CB 4.3Å; Y268-N292 PolarHBondContact N-O 3.08Å; Y290-N292 PolarHBondContact O-N 2.96Å; N292-W326 WeakPolarHBondContact O-CZ2 3.38Å
293	V	98.8	Very high	98	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	173.6	-175.7	0	0	0	0	109.5	Y262 Y268 I270 I286 A287 Y290	Y262-V293 HydrophobicContact CE2-CG2 4.19Å; Y268-V293 HydrophobicContact CD2-CG2 3.97Å; Y268-V293 HydrophobicContact CG-CG2 4.26Å; Y268-V293 CarbonylContact O-C 3.56Å; Y268-V293 WeakPolarHBondContact O-CA 3.47Å; I270-V293 HydrophobicContact CD1-CG1 3.82Å; I270-V293 HydrophobicContact CG1-CG1 4.46Å; I286-V293 HydrophobicContact CG2-CG1 4.31Å; A287-V293 HydrophobicContact CB-CG1 4.34Å; Y290-V293 HydrophobicContact CD2-CG2 4.29Å; Y290-V293 HydrophobicContact CG-CG2 4.2Å; Y290-V293 PolarHBondContact O-N 3.13Å
294	R	98.7	Very high	98	Very high	77 Å²	77	49.4 Å²	49.4	29%	0.291	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.1	178.5	-69.4	177.9	-178.5	173.4	-5.4	111.3	Y268 Y269 I270 M323 E325 W326	Y268-R294 PolarHBondContact O-N 3.47Å; Y269-R294 CarbonylContact C-O 3.53Å; Y269-R294 WeakPolarHBondContact CA-O 3.43Å; Y269-R294 HydrophobicContact CD2-CB 3.89Å; Y269-R294 HydrophobicContact CE2-CB 4.22Å; I270-R294 PolarHBondContact N-O 3.37Å; R294-M323 PolarHBondContact NH1-SD 3.01Å; R294-E325 IonicContact CZ-OE1 3.31Å; R294-E325 IonicContact NH1-OE1 3.23Å; R294-E325 PolarHBondContact NH1-OE1 2.87Å; R294-E325 IonicContact NH2-OE1 2.93Å; R294-E325 PolarHBondContact NH2-OE1 3.06Å; R294-W326 HydrophobicContact CB-CH2 3.8Å; R294-W326 HydrophobicContact CB-CZ2 4.3Å; R294-W326 VanDerWaalsContact CD-CZ2 3.44Å; R294-W326 HydrophobicContact CG-CH2 3.66Å; R294-W326 HydrophobicContact CG-CZ2 3.63Å
295	A	98.6	Very high	97.7	Very high	20 Å²	20	46.4 Å²	46.4	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	152.2	166.5	0	0	0	0	0	110.9	Y269 I270 V283 L284	Y269-A295 WeakPolarHBondContact CE2-O 3.23Å; I270-A295 CarbonylContact O-C 3.58Å; I270-A295 WeakPolarHBondContact O-CA 3.44Å; V283-A295 HydrophobicContact CG1-CB 4.07Å; L284-A295 HydrophobicContact CD2-CB 3.94Å
296	T	98.6	Very high	97.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.223	C	C	.	.			trans	-70.4	127.3	168.6	58.8	0	0	0	0	110	Y269 I270 H271 W298	Y269-T296 HydrophobicContact CD1-CG2 4.16Å; Y269-T296 HydrophobicContact CD2-CG2 4.38Å; Y269-T296 HydrophobicContact CE1-CG2 3.78Å; Y269-T296 HydrophobicContact CE2-CG2 4.01Å; Y269-T296 HydrophobicContact CG-CG2 4.44Å; I270-T296 PolarHBondContact O-N 3Å; H271-T296 WeakPolarHBondContact CA-OG1 3.35Å; H271-T296 HydrophobicContact CB-CG2 3.92Å; T296-W298 CarbonylContact C-O 3.6Å; T296-W298 VanDerWaalsContact CB-O 3.28Å; T296-W298 WeakPolarHBondContact CB-O 3.34Å; T296-W298 HydrophobicContact CG2-CH2 4.12Å; T296-W298 HydrophobicContact CG2-CZ2 3.71Å; T296-W298 PolarHBondContact O-N 2.73Å; T296-W298 PolarHBondContact OG1-O 3.12Å
297	P	97.1	Very high	97.6	Very high	118 Å²	118	43.5 Å²	43.5	77%	0.766	23%	0.229	S	C	*	.	S	Bend	trans	-71.2	-21.6	179.6	29	-34.3	0	0	0	112.3	Y269	Y269-P297 WeakPolarHBondContact OH-CD 3.43Å
298	W	98.4	Very high	97.6	Very high	45 Å²	45	43 Å²	43	17%	0.17	22%	0.224	C	C	.	.	S	Bend	trans	-96.9	149.9	168.5	53.3	-91.3	0	0	0	110	H271 T296 M300 A312 R315 S316 D319	H271-W298 AromaticContact CD2-CE3 3.97Å; H271-W298 AromaticContact CD2-CH2 3.77Å; H271-W298 AromaticContact CD2-CZ3 3.29Å; H271-W298 WeakPolarHBondContact CD2-CZ3 3.45Å; H271-W298 AromaticContact NE2-CZ3 3.69Å; T296-W298 CarbonylContact C-O 3.6Å; T296-W298 VanDerWaalsContact CB-O 3.28Å; T296-W298 WeakPolarHBondContact CB-O 3.34Å; T296-W298 HydrophobicContact CG2-CH2 4.12Å; T296-W298 HydrophobicContact CG2-CZ2 3.71Å; T296-W298 PolarHBondContact O-N 2.73Å; T296-W298 PolarHBondContact OG1-O 3.12Å; W298-M300 HydrophobicContact CD2-CE 4.49Å; W298-M300 HydrophobicContact CE3-CE 3.66Å; W298-M300 HydrophobicContact CE3-CG 3.97Å; W298-M300 HydrophobicContact CE3-SD 4.38Å; W298-M300 HydrophobicContact CZ3-CE 3.67Å; W298-M300 HydrophobicContact CZ3-CG 4.03Å; W298-M300 HydrophobicContact CZ3-SD 4.08Å; W298-A312 HydrophobicContact CH2-CB 3.96Å; W298-A312 WeakPolarHBondContact CH2-O 3.39Å; W298-A312 HydrophobicContact CZ3-CB 3.87Å; W298-R315 HydrophobicContact CD2-CG 3.97Å; W298-R315 HydrophobicContact CG-CG 4.45Å; W298-R315 HydrophobicContact CH2-CB 4.05Å; W298-R315 HydrophobicContact CH2-CG 4.23Å; W298-R315 HydrophobicContact CZ2-CB 3.76Å; W298-R315 HydrophobicContact CZ2-CG 3.54Å; W298-S316 WeakPolarHBondContact CH2-OG 3.45Å; W298-S316 WeakPolarHBondContact CZ2-OG 3.11Å; W298-D319 PolarHBondContact NE1-OD2 2.86Å
299	R	98.4	Very high	97.6	Very high	64 Å²	64	37.3 Å²	37.3	24%	0.242	20%	0.198	C	C	.	.			trans	-136.3	137.2	176.7	-67.5	171.5	63.7	-152.7	-2.2	110	V272 D273 K274 S276 H280	V272-R299 WeakPolarHBondContact O-CG 3.49Å; V272-R299 PolarHBondContact O-NE 3.46Å; D273-R299 PolarHBondContact O-NH2 3.04Å; K274-R299 VanDerWaalsContact C-NH2 3.34Å; K274-R299 HydrophobicContact CB-CB 4.2Å; K274-R299 HydrophobicContact CG-CB 4.48Å; K274-R299 PolarHBondContact O-NH2 3.32Å; S276-R299 PolarHBondContact O-NH2 2.91Å; H280-R299 VanDerWaalsContact CD2-CD 3.47Å; H280-R299 WeakPolarHBondContact CD2-CD 3.31Å
300	M	97.9	Very high	97.6	Very high	38 Å²	38	33 Å²	33	19%	0.187	18%	0.178	C	C	.	.			trans	-115.4	157.5	-179.9	-61.2	-175.3	-170.4	0	0	109.6	H271 D273 K274 W298 T302 K311 A312 R315	H271-M300 PolarHBondContact NE2-N 3.49Å; D273-M300 WeakPolarHBondContact CA-O 3.33Å; K274-M300 PolarHBondContact N-O 3.13Å; W298-M300 HydrophobicContact CD2-CE 4.49Å; W298-M300 HydrophobicContact CE3-CE 3.66Å; W298-M300 HydrophobicContact CE3-CG 3.97Å; W298-M300 HydrophobicContact CE3-SD 4.38Å; W298-M300 HydrophobicContact CZ3-CE 3.67Å; W298-M300 HydrophobicContact CZ3-CG 4.03Å; W298-M300 HydrophobicContact CZ3-SD 4.08Å; M300-T302 HydrophobicContact CB-CG2 4.35Å; M300-T302 PolarHBondContact O-N 3.49Å; M300-K311 HydrophobicContact CE-CB 4.48Å; M300-K311 HydrophobicContact CE-CD 4.28Å; M300-K311 HydrophobicContact CE-CG 3.98Å; M300-K311 HydrophobicContact SD-CB 4.12Å; M300-K311 HydrophobicContact SD-CD 4.24Å; M300-K311 HydrophobicContact SD-CG 4.15Å; M300-A312 HydrophobicContact SD-CB 4.01Å; M300-R315 HydrophobicContact CE-CB 4.49Å
301	V	97.8	Very high	97.7	Very high	27 Å²	27	39.3 Å²	39.3	16%	0.164	21%	0.206	C	C	.	.			trans	-87.8	98.7	167.1	-177.5	0	0	0	0	106.7	K274 R275 I303 S308 N385	K274-V301 HydrophobicContact CB-CG2 3.84Å; K274-V301 HydrophobicContact CD-CG2 4.38Å; R275-V301 HydrophobicContact CG-CG1 4.32Å; R275-V301 HydrophobicContact CG-CG2 4.42Å; V301-I303 HydrophobicContact CG1-CG2 3.83Å; V301-I303 PolarHBondContact O-N 2.7Å; V301-S308 PolarHBondContact O-OG 2.89Å; V301-N385 HydrophobicContact CG1-CB 4.27Å; V301-N385 WeakPolarHBondContact CG1-OD1 3.27Å
302	T	96.8	Very high	97.8	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.117	17%	0.169	C	C	.	.			trans	-90.9	85.8	-177.5	43.2	0	0	0	0	108.9	D273 R275 M300 A312	D273-T302 PolarHBondContact OD2-N 3.45Å; D273-T302 PolarHBondContact OD2-OG1 2.7Å; R275-T302 PolarHBondContact NH2-O 3.34Å; M300-T302 HydrophobicContact CB-CG2 4.35Å; M300-T302 PolarHBondContact O-N 3.49Å; T302-A312 HydrophobicContact CG2-CB 4.33Å
303	I	97.1	Very high	97.8	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.036	17%	0.167	C	C	.	.			trans	-71.4	157.6	177.4	67.7	176.9	0	0	0	111.7	V301 G305 G306 E382 N385 M387 I480	V301-I303 HydrophobicContact CG1-CG2 3.83Å; V301-I303 PolarHBondContact O-N 2.7Å; I303-G305 PolarHBondContact O-N 3.13Å; I303-G306 PolarHBondContact O-N 2.75Å; I303-G306 VanDerWaalsContact O-N 3.11Å; I303-E382 HydrophobicContact CD1-CG 3.97Å; I303-N385 HydrophobicContact CG2-CB 4.15Å; I303-M387 HydrophobicContact CD1-CB 4.29Å; I303-I480 HydrophobicContact CB-CG2 3.74Å; I303-I480 HydrophobicContact CD1-CG2 4.11Å; I303-I480 HydrophobicContact CG1-CG2 4.28Å; I303-I480 HydrophobicContact CG2-CG2 4.38Å
304	W	97.4	Very high	97.8	Very high	58 Å²	58	34.7 Å²	34.7	22%	0.22	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	128.1	173.1	-173.2	92.9	0	0	0	109.5	G306 L438 Y477 V481	W304-G306 PolarHBondContact O-N 2.86Å; W304-L438 HydrophobicContact CH2-CD1 3.83Å; W304-L438 HydrophobicContact CH2-CD2 4.04Å; W304-L438 HydrophobicContact CH2-CG 4.25Å; W304-L438 HydrophobicContact CZ2-CD1 4.41Å; W304-L438 HydrophobicContact CZ2-CD2 4.04Å; W304-L438 HydrophobicContact CZ3-CD1 4.48Å; W304-Y477 HydrophobicContact CB-CD1 4.12Å; W304-Y477 HydrophobicContact CB-CE1 4.37Å; W304-Y477 HydrophobicContact CB-CG 4.32Å; W304-Y477 AromaticContact CD1-CE2 3.65Å; W304-Y477 AromaticContact CD1-CZ 3.65Å; W304-Y477 HydrophobicContact CD2-CD1 4.37Å; W304-Y477 AromaticContact CD2-CD2 3.45Å; W304-Y477 HydrophobicContact CD2-CD2 3.45Å; W304-Y477 VanDerWaalsContact CD2-CD2 3.45Å; W304-Y477 AromaticContact CD2-CE2 3.85Å; W304-Y477 HydrophobicContact CD2-CE2 3.85Å; W304-Y477 AromaticContact CD2-CG 3.76Å; W304-Y477 HydrophobicContact CD2-CG 3.76Å; W304-Y477 AromaticContact CE2-CD2 3.52Å; W304-Y477 AromaticContact CE2-CE2 3.56Å; W304-Y477 AromaticContact CE3-CD2 3.86Å; W304-Y477 HydrophobicContact CE3-CD2 3.86Å; W304-Y477 AromaticContact CE3-CG 3.99Å; W304-Y477 HydrophobicContact CE3-CG 3.99Å; W304-Y477 AromaticContact CG-CD1 4Å; W304-Y477 HydrophobicContact CG-CD1 4Å; W304-Y477 AromaticContact CG-CD2 3.84Å; W304-Y477 HydrophobicContact CG-CD2 3.84Å; W304-Y477 HydrophobicContact CG-CE1 4.09Å; W304-Y477 AromaticContact CG-CE2 3.93Å; W304-Y477 HydrophobicContact CG-CE2 3.93Å; W304-Y477 AromaticContact CG-CG 3.88Å; W304-Y477 HydrophobicContact CG-CG 3.88Å; W304-Y477 HydrophobicContact CH2-CD2 4.4Å; W304-Y477 HydrophobicContact CZ2-CD2 4.01Å; W304-Y477 HydrophobicContact CZ2-CE2 4.19Å; W304-Y477 HydrophobicContact CZ3-CD2 4.32Å; W304-Y477 AromaticContact NE1-CD2 3.83Å; W304-Y477 AromaticContact NE1-CE2 3.39Å; W304-Y477 AromaticContact NE1-CZ 3.83Å; W304-V481 HydrophobicContact CE3-CG1 4.03Å; W304-V481 HydrophobicContact CE3-CG2 4.01Å; W304-V481 HydrophobicContact CZ3-CG1 4.5Å; W304-V481 HydrophobicContact CZ3-CG2 3.91Å; W304-V481 WeakPolarHBondContact O-CG1 3.24Å
305	G	93.4	Very high	97.8	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-7.7	-178	0	0	0	0	0	116.3	I303 L438	I303-G305 PolarHBondContact O-N 3.13Å; G305-L438 PolarHBondContact O-N 3.43Å
306	G	96.6	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.			trans	-65	149.6	-173.8	0	0	0	0	0	115	I303 W304 S308 L309 E382	I303-G306 PolarHBondContact O-N 2.75Å; I303-G306 VanDerWaalsContact O-N 3.11Å; W304-G306 PolarHBondContact O-N 2.86Å; G306-S308 PolarHBondContact O-N 3.28Å; G306-L309 PolarHBondContact O-N 3.35Å; G306-E382 VanDerWaalsContact C-OE2 3.29Å; G306-E382 VanDerWaalsContact CA-OE2 3.29Å; G306-E382 WeakPolarHBondContact CA-OE2 3.42Å
307	A	97.1	Very high	97.8	Very high	15 Å²	15	35.9 Å²	35.9	12%	0.124	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.8	171.6	0	0	0	0	0	112.9	L309 L310 K311 E382 T434 P439	A307-L309 PolarHBondContact O-N 2.88Å; A307-L309 VanDerWaalsContact O-N 3.15Å; A307-L310 PolarHBondContact O-N 3.39Å; A307-L310 VanDerWaalsContact O-N 3.15Å; A307-K311 PolarHBondContact O-N 2.91Å; A307-K311 VanDerWaalsContact O-N 3.1Å; A307-E382 WeakPolarHBondContact CA-OE2 3.19Å; A307-E382 PolarHBondContact N-OE2 3.42Å; A307-T434 WeakPolarHBondContact CB-O 3.19Å; A307-P439 HydrophobicContact CB-CG 4.3Å
308	S	97.5	Very high	97.9	Very high	11 Å²	11	34 Å²	34	8%	0.077	16%	0.155	C	C	.	.	H	α-helix	trans	-52.7	-29	170.4	52.8	0	0	0	0	113.9	V301 G306 K311 A312 E382	V301-S308 PolarHBondContact O-OG 2.89Å; G306-S308 PolarHBondContact O-N 3.28Å; S308-K311 PolarHBondContact O-N 2.83Å; S308-A312 WeakPolarHBondContact O-CB 3.5Å; S308-A312 PolarHBondContact O-N 3.25Å; S308-E382 WeakPolarHBondContact CB-OE1 3.49Å; S308-E382 PolarHBondContact N-OE2 3.45Å; S308-E382 VanDerWaalsContact OG-CD 3.3Å; S308-E382 PolarHBondContact OG-OE1 2.96Å; S308-E382 PolarHBondContact OG-OE2 2.93Å
309	L	98.4	Very high	97.9	Very high	39 Å²	39	32.3 Å²	32.3	20%	0.204	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-45	176.5	-179.1	60.2	0	0	0	112.4	M245 G306 A307 K311 A312 Y313 A440	M245-L309 HydrophobicContact CG-CD1 4.44Å; G306-L309 PolarHBondContact O-N 3.35Å; A307-L309 PolarHBondContact O-N 2.88Å; A307-L309 VanDerWaalsContact O-N 3.15Å; L309-K311 VanDerWaalsContact C-N 3.35Å; L309-A312 PolarHBondContact O-N 2.91Å; L309-Y313 HydrophobicContact CD1-CD2 4.28Å; L309-Y313 HydrophobicContact CD1-CE2 3.67Å; L309-Y313 HydrophobicContact CD2-CE2 4.22Å; L309-Y313 HydrophobicContact CG-CD2 4.16Å; L309-Y313 HydrophobicContact CG-CE2 3.66Å; L309-Y313 VanDerWaalsContact O-CD2 3.29Å; L309-Y313 WeakPolarHBondContact O-CD2 3.26Å; L309-Y313 PolarHBondContact O-N 2.84Å; L309-A440 HydrophobicContact CD2-CB 4.32Å; L309-A440 HydrophobicContact CG-CB 4.46Å
310	L	98.7	Very high	97.9	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-66.6	-40.1	174	175.4	62.4	0	0	0	110.8	A307 A312 Y313 L314 P439 F443 F444	A307-L310 PolarHBondContact O-N 3.39Å; A307-L310 VanDerWaalsContact O-N 3.15Å; L310-A312 VanDerWaalsContact C-N 3.28Å; L310-A312 PolarHBondContact O-N 3.4Å; L310-Y313 PolarHBondContact O-N 2.99Å; L310-L314 HydrophobicContact CD1-CD1 4.03Å; L310-L314 HydrophobicContact CD1-CD2 4.48Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.43Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.24Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 WeakPolarHBondContact O-CG 3.34Å; L310-L314 PolarHBondContact O-N 3.33Å; L310-P439 HydrophobicContact CB-CB 4.2Å; L310-P439 HydrophobicContact CB-CG 3.83Å; L310-P439 HydrophobicContact CD2-CB 3.91Å; L310-P439 HydrophobicContact CD2-CG 4.39Å; L310-F443 HydrophobicContact CD1-CB 4.21Å; L310-F443 HydrophobicContact CD1-CD1 3.54Å; L310-F443 HydrophobicContact CD1-CE1 4.01Å; L310-F443 HydrophobicContact CD1-CG 3.88Å; L310-F443 HydrophobicContact CD2-CB 3.81Å; L310-F443 HydrophobicContact CD2-CD1 4.12Å; L310-F443 HydrophobicContact CD2-CD2 3.72Å; L310-F443 HydrophobicContact CD2-CE2 4.31Å; L310-F443 HydrophobicContact CD2-CG 3.61Å; L310-F443 HydrophobicContact CG-CD1 4.48Å; L310-F443 HydrophobicContact CG-CG 4.42Å; L310-F444 HydrophobicContact CD1-CE2 3.66Å; L310-F444 HydrophobicContact CD1-CZ 3.68Å
311	K	98.4	Very high	97.9	Very high	141 Å²	141	28.8 Å²	28.8	61%	0.613	14%	0.136	S	C	*	.	H	α-helix	trans	-58.4	-39.8	175.2	-162.7	179.6	-176.3	170.5	0	111.8	M300 A307 S308 L309 R315	M300-K311 HydrophobicContact CE-CB 4.48Å; M300-K311 HydrophobicContact CE-CD 4.28Å; M300-K311 HydrophobicContact CE-CG 3.98Å; M300-K311 HydrophobicContact SD-CB 4.12Å; M300-K311 HydrophobicContact SD-CD 4.24Å; M300-K311 HydrophobicContact SD-CG 4.15Å; A307-K311 PolarHBondContact O-N 2.91Å; A307-K311 VanDerWaalsContact O-N 3.1Å; S308-K311 PolarHBondContact O-N 2.83Å; L309-K311 VanDerWaalsContact C-N 3.35Å; K311-R315 WeakPolarHBondContact O-CB 3.21Å; K311-R315 PolarHBondContact O-N 2.93Å
312	A	98.6	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-44.4	174.6	0	0	0	0	0	112.3	M245 W298 M300 T302 S308 L309 L310 R315 S316	M245-A312 HydrophobicContact CE-CB 3.76Å; M245-A312 HydrophobicContact SD-CB 4.21Å; W298-A312 HydrophobicContact CH2-CB 3.96Å; W298-A312 WeakPolarHBondContact CH2-O 3.39Å; W298-A312 HydrophobicContact CZ3-CB 3.87Å; M300-A312 HydrophobicContact SD-CB 4.01Å; T302-A312 HydrophobicContact CG2-CB 4.33Å; S308-A312 WeakPolarHBondContact O-CB 3.5Å; S308-A312 PolarHBondContact O-N 3.25Å; L309-A312 PolarHBondContact O-N 2.91Å; L310-A312 VanDerWaalsContact C-N 3.28Å; L310-A312 PolarHBondContact O-N 3.4Å; A312-R315 PolarHBondContact O-N 3.35Å; A312-S316 WeakPolarHBondContact O-CB 3.36Å; A312-S316 PolarHBondContact O-N 2.86Å; A312-S316 PolarHBondContact O-OG 3.45Å
313	Y	98.8	Very high	98	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-50.1	175.1	-72.8	-49	0	0	0	111.9	M245 L309 L310 R315 S316 M317 F331 N333 A440 F444	M245-Y313 HydrophobicContact CE-CD1 3.36Å; M245-Y313 HydrophobicContact CE-CE1 3.61Å; M245-Y313 HydrophobicContact CE-CG 4.09Å; M245-Y313 HydrophobicContact CG-CD1 4.38Å; M245-Y313 HydrophobicContact CG-CE1 3.61Å; M245-Y313 HydrophobicContact SD-CE1 4.42Å; L309-Y313 HydrophobicContact CD1-CD2 4.28Å; L309-Y313 HydrophobicContact CD1-CE2 3.67Å; L309-Y313 HydrophobicContact CD2-CE2 4.22Å; L309-Y313 HydrophobicContact CG-CD2 4.16Å; L309-Y313 HydrophobicContact CG-CE2 3.66Å; L309-Y313 VanDerWaalsContact O-CD2 3.29Å; L309-Y313 WeakPolarHBondContact O-CD2 3.26Å; L309-Y313 PolarHBondContact O-N 2.84Å; L310-Y313 PolarHBondContact O-N 2.99Å; Y313-R315 VanDerWaalsContact C-N 3.31Å; Y313-R315 PolarHBondContact O-N 2.81Å; Y313-S316 PolarHBondContact O-N 2.84Å; Y313-M317 WeakPolarHBondContact O-CB 3.27Å; Y313-M317 VanDerWaalsContact O-CG 3.23Å; Y313-M317 WeakPolarHBondContact O-CG 3.49Å; Y313-M317 PolarHBondContact O-N 2.91Å; Y313-F331 HydrophobicContact CD1-CE1 4.37Å; Y313-F331 HydrophobicContact CD1-CZ 4.06Å; Y313-N333 HydrophobicContact CE1-CB 3.64Å; Y313-N333 VanDerWaalsContact CZ-ND2 3.35Å; Y313-N333 PolarHBondContact OH-ND2 3.4Å; Y313-A440 HydrophobicContact CD2-CB 4.12Å; Y313-A440 HydrophobicContact CE2-CB 3.95Å; Y313-F444 HydrophobicContact CD2-CE2 4.45Å
314	L	98.8	Very high	97.9	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37.8	179.5	-70.4	175.2	0	0	0	112.3	L310 M317 Q318 V418 F443 F444	L310-L314 HydrophobicContact CD1-CD1 4.03Å; L310-L314 HydrophobicContact CD1-CD2 4.48Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.43Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.24Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 WeakPolarHBondContact O-CG 3.34Å; L310-L314 PolarHBondContact O-N 3.33Å; L314-M317 HydrophobicContact CD2-SD 4.45Å; L314-Q318 WeakPolarHBondContact O-CB 3.42Å; L314-Q318 PolarHBondContact O-N 3.1Å; L314-V418 HydrophobicContact CD2-CG1 3.55Å; L314-F443 HydrophobicContact CD1-CZ 4.31Å; L314-F443 HydrophobicContact CD2-CE1 3.9Å; L314-F443 HydrophobicContact CD2-CZ 4.17Å; L314-F444 HydrophobicContact CD2-CE1 4.5Å
315	R	98.7	Very high	97.9	Very high	123 Å²	123	41 Å²	41	46%	0.464	20%	0.199	S	C	.	.	H	α-helix	trans	-69.4	-42.1	174.7	-175.2	67.4	-148.4	-150.6	3.4	112.2	W298 M300 K311 A312 Y313 M317 Q318 D319	W298-R315 HydrophobicContact CD2-CG 3.97Å; W298-R315 HydrophobicContact CG-CG 4.45Å; W298-R315 HydrophobicContact CH2-CB 4.05Å; W298-R315 HydrophobicContact CH2-CG 4.23Å; W298-R315 HydrophobicContact CZ2-CB 3.76Å; W298-R315 HydrophobicContact CZ2-CG 3.54Å; M300-R315 HydrophobicContact CE-CB 4.49Å; K311-R315 WeakPolarHBondContact O-CB 3.21Å; K311-R315 PolarHBondContact O-N 2.93Å; A312-R315 PolarHBondContact O-N 3.35Å; Y313-R315 VanDerWaalsContact C-N 3.31Å; Y313-R315 PolarHBondContact O-N 2.81Å; R315-M317 VanDerWaalsContact C-N 3.31Å; R315-M317 PolarHBondContact O-N 3.34Å; R315-Q318 PolarHBondContact O-N 2.79Å; R315-D319 IonicContact CZ-OD1 3.16Å; R315-D319 IonicContact NE-OD1 3.73Å; R315-D319 PolarHBondContact NE-OD1 2.86Å; R315-D319 IonicContact NE-OD2 2.71Å; R315-D319 IonicContact NH2-OD1 2.75Å; R315-D319 PolarHBondContact NH2-OD1 2.89Å; R315-D319 VanDerWaalsContact O-CG 3.25Å; R315-D319 PolarHBondContact O-N 3.4Å
316	S	98.9	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-41.5	176	-55.8	0	0	0	0	111.6	W298 A312 Y313 D319 L320	W298-S316 WeakPolarHBondContact CH2-OG 3.45Å; W298-S316 WeakPolarHBondContact CZ2-OG 3.11Å; A312-S316 WeakPolarHBondContact O-CB 3.36Å; A312-S316 PolarHBondContact O-N 2.86Å; A312-S316 PolarHBondContact O-OG 3.45Å; Y313-S316 PolarHBondContact O-N 2.84Å; S316-D319 PolarHBondContact O-N 3Å; S316-L320 VanDerWaalsContact O-CB 3.29Å; S316-L320 WeakPolarHBondContact O-CB 3.5Å; S316-L320 WeakPolarHBondContact O-CG 3.36Å; S316-L320 PolarHBondContact O-N 2.84Å
317	M	98.9	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-46	173.2	-73.3	173.9	179.5	0	0	111.9	Y313 L314 R315 L320 L321 F331 F408 L410 V415 V419 F444	Y313-M317 WeakPolarHBondContact O-CB 3.27Å; Y313-M317 VanDerWaalsContact O-CG 3.23Å; Y313-M317 WeakPolarHBondContact O-CG 3.49Å; Y313-M317 PolarHBondContact O-N 2.91Å; L314-M317 HydrophobicContact CD2-SD 4.45Å; R315-M317 VanDerWaalsContact C-N 3.31Å; R315-M317 PolarHBondContact O-N 3.34Å; M317-L320 PolarHBondContact O-N 3.02Å; M317-L321 VanDerWaalsContact O-CG 3.31Å; M317-L321 WeakPolarHBondContact O-CG 3.48Å; M317-L321 PolarHBondContact O-N 3.34Å; M317-F331 HydrophobicContact CB-CE2 4.48Å; M317-F331 HydrophobicContact CE-CD1 3.82Å; M317-F331 HydrophobicContact CE-CD2 4.08Å; M317-F331 HydrophobicContact CE-CE1 3.6Å; M317-F331 HydrophobicContact CE-CE2 3.84Å; M317-F331 HydrophobicContact CE-CG 4.07Å; M317-F331 HydrophobicContact CE-CZ 3.6Å; M317-F331 HydrophobicContact CG-CD2 3.73Å; M317-F331 HydrophobicContact CG-CE2 3.37Å; M317-F331 HydrophobicContact CG-CZ 3.99Å; M317-F408 HydrophobicContact CE-CE2 4.22Å; M317-L410 HydrophobicContact CE-CD1 4.01Å; M317-V415 HydrophobicContact CB-CG1 3.54Å; M317-V415 HydrophobicContact CE-CG2 4.27Å; M317-V415 HydrophobicContact CG-CG1 3.53Å; M317-V415 HydrophobicContact SD-CG1 3.91Å; M317-V415 HydrophobicContact SD-CG2 4.35Å; M317-V419 HydrophobicContact CB-CG2 3.65Å; M317-F444 HydrophobicContact CE-CE1 3.64Å; M317-F444 HydrophobicContact CE-CZ 3.75Å; M317-F444 HydrophobicContact SD-CE1 3.88Å; M317-F444 HydrophobicContact SD-CZ 4.16Å
318	Q	98.8	Very high	98.3	Very high	78 Å²	78	45.9 Å²	45.9	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-46.2	176.6	177.1	63.1	96.3	0	0	112.3	L314 R315 L321 T322 V419	L314-Q318 WeakPolarHBondContact O-CB 3.42Å; L314-Q318 PolarHBondContact O-N 3.1Å; R315-Q318 PolarHBondContact O-N 2.79Å; Q318-L321 PolarHBondContact O-N 3.3Å; Q318-T322 PolarHBondContact O-N 2.94Å; Q318-T322 PolarHBondContact O-OG1 3.21Å; Q318-V419 HydrophobicContact CB-CG1 3.96Å; Q318-V419 HydrophobicContact CG-CG1 4.32Å; Q318-V419 VanDerWaalsContact OE1-CG1 3.25Å
319	D	98.8	Very high	98.3	Very high	10 Å²	10	47 Å²	47	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-47.2	178.3	-62.8	-22.5	0	0	0	110.6	Y269 W298 R315 S316 L321 T322 M323	Y269-D319 HydrophobicContact CE1-CB 3.79Å; Y269-D319 PolarHBondContact OH-OD2 3Å; W298-D319 PolarHBondContact NE1-OD2 2.86Å; R315-D319 IonicContact CZ-OD1 3.16Å; R315-D319 IonicContact NE-OD1 3.73Å; R315-D319 PolarHBondContact NE-OD1 2.86Å; R315-D319 IonicContact NE-OD2 2.71Å; R315-D319 IonicContact NH2-OD1 2.75Å; R315-D319 PolarHBondContact NH2-OD1 2.89Å; R315-D319 VanDerWaalsContact O-CG 3.25Å; R315-D319 PolarHBondContact O-N 3.4Å; S316-D319 PolarHBondContact O-N 3Å; D319-L321 VanDerWaalsContact C-N 3.28Å; D319-L321 PolarHBondContact O-N 3.29Å; D319-T322 WeakPolarHBondContact CA-OG1 3.19Å; D319-T322 PolarHBondContact O-N 3.25Å; D319-T322 PolarHBondContact O-OG1 2.89Å; D319-M323 HydrophobicContact CB-CE 4.26Å; D319-M323 WeakPolarHBondContact O-CG 3.48Å; D319-M323 PolarHBondContact O-N 3.02Å
320	L	98.8	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-29.6	178.2	-77.5	173.1	0	0	0	113.8	A241 V243 Y269 S316 M317 M323 W326 W328 F331	A241-L320 HydrophobicContact CB-CD1 4.01Å; A241-L320 HydrophobicContact CB-CD2 4.21Å; V243-L320 HydrophobicContact CG2-CD1 3.61Å; Y269-L320 HydrophobicContact CD1-CD1 4.47Å; Y269-L320 HydrophobicContact CD1-CD2 4.32Å; Y269-L320 HydrophobicContact CD1-CG 4.06Å; Y269-L320 HydrophobicContact CG-CD2 4.47Å; S316-L320 VanDerWaalsContact O-CB 3.29Å; S316-L320 WeakPolarHBondContact O-CB 3.5Å; S316-L320 WeakPolarHBondContact O-CG 3.36Å; S316-L320 PolarHBondContact O-N 2.84Å; M317-L320 PolarHBondContact O-N 3.02Å; L320-M323 HydrophobicContact CD2-SD 4.46Å; L320-W326 HydrophobicContact CD2-CE3 3.61Å; L320-W326 HydrophobicContact CD2-CZ3 3.89Å; L320-W328 HydrophobicContact CB-CZ2 3.85Å; L320-W328 PolarHBondContact O-NE1 3.22Å; L320-F331 HydrophobicContact CD1-CD2 3.89Å; L320-F331 HydrophobicContact CD1-CE2 3.98Å
321	L	98.7	Very high	98.4	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-73	-34.6	172.4	-71.8	167.7	0	0	0	111.8	M317 Q318 D319 W328 R412 V415 D416 V419	M317-L321 VanDerWaalsContact O-CG 3.31Å; M317-L321 WeakPolarHBondContact O-CG 3.48Å; M317-L321 PolarHBondContact O-N 3.34Å; Q318-L321 PolarHBondContact O-N 3.3Å; D319-L321 VanDerWaalsContact C-N 3.28Å; D319-L321 PolarHBondContact O-N 3.29Å; L321-W328 HydrophobicContact CD2-CH2 4.25Å; L321-W328 HydrophobicContact CD2-CZ2 3.88Å; L321-W328 HydrophobicContact CG-CZ2 4.18Å; L321-R412 HydrophobicContact CD2-CG 4.1Å; L321-V415 HydrophobicContact CD1-CG1 4.29Å; L321-D416 HydrophobicContact CD1-CB 4.39Å; L321-D416 HydrophobicContact CD2-CB 4.08Å; L321-V419 HydrophobicContact CD1-CB 3.79Å; L321-V419 HydrophobicContact CD1-CG1 4.04Å; L321-V419 HydrophobicContact CD1-CG2 3.94Å
322	T	98.2	Very high	98.4	Very high	90 Å²	90	38.2 Å²	38.2	55%	0.552	18%	0.181	S	C	*	.	H	α-helix	trans	-78.3	-22.8	178.5	55.6	0	0	0	0	114.7	Q318 D319 Q324	Q318-T322 PolarHBondContact O-N 2.94Å; Q318-T322 PolarHBondContact O-OG1 3.21Å; D319-T322 WeakPolarHBondContact CA-OG1 3.19Å; D319-T322 PolarHBondContact O-N 3.25Å; D319-T322 PolarHBondContact O-OG1 2.89Å; T322-Q324 VanDerWaalsContact C-N 3.3Å; T322-Q324 PolarHBondContact O-N 3.35Å
323	M	97.9	Very high	98.4	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.133	18%	0.181	C	C	.	.			trans	-71	83.4	172.8	-66.8	176.2	-168.6	0	0	110.2	Y269 R294 D319 L320 E325 W326	Y269-M323 HydrophobicContact CD2-CE 4.48Å; Y269-M323 HydrophobicContact CE1-CE 4.45Å; Y269-M323 HydrophobicContact CE2-CE 3.86Å; R294-M323 PolarHBondContact NH1-SD 3.01Å; D319-M323 HydrophobicContact CB-CE 4.26Å; D319-M323 WeakPolarHBondContact O-CG 3.48Å; D319-M323 PolarHBondContact O-N 3.02Å; L320-M323 HydrophobicContact CD2-SD 4.46Å; M323-E325 VanDerWaalsContact CA-OE2 3.22Å; M323-E325 WeakPolarHBondContact CA-OE2 3.36Å; M323-E325 PolarHBondContact O-N 3.21Å; M323-W326 HydrophobicContact CB-CB 4.04Å; M323-W326 HydrophobicContact CB-CG 4.33Å; M323-W326 PolarHBondContact O-N 2.72Å; M323-W326 HydrophobicContact SD-CD2 4.03Å; M323-W326 HydrophobicContact SD-CE3 3.66Å; M323-W326 HydrophobicContact SD-CZ3 4.07Å
324	Q	95.4	Very high	98.4	Very high	149 Å²	149	38.2 Å²	38.2	70%	0.696	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-175.7	-61	-167	19.5	0	0	113.3	T322 W326 K327	T322-Q324 VanDerWaalsContact C-N 3.3Å; T322-Q324 PolarHBondContact O-N 3.35Å; Q324-W326 VanDerWaalsContact C-N 3.35Å; Q324-K327 WeakPolarHBondContact O-CD 3.29Å; Q324-K327 WeakPolarHBondContact O-CE 3.46Å; Q324-K327 PolarHBondContact O-NZ 3.29Å
325	E	97.1	Very high	98.4	Very high	102 Å²	102	37 Å²	37	48%	0.477	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-20	175	76.9	-75.4	-158.3	0	0	113	R294 M323 K327	R294-E325 IonicContact CZ-OE1 3.31Å; R294-E325 IonicContact NH1-OE1 3.23Å; R294-E325 PolarHBondContact NH1-OE1 2.87Å; R294-E325 IonicContact NH2-OE1 2.93Å; R294-E325 PolarHBondContact NH2-OE1 3.06Å; M323-E325 VanDerWaalsContact CA-OE2 3.22Å; M323-E325 WeakPolarHBondContact CA-OE2 3.36Å; M323-E325 PolarHBondContact O-N 3.21Å; E325-K327 PolarHBondContact O-N 2.7Å
326	W	98.2	Very high	98.4	Very high	8 Å²	8	31.6 Å²	31.6	3%	0.03	16%	0.157	C	C	.	.			trans	-94.9	94	176.8	-75.7	10.3	0	0	0	111.1	Y267 N292 R294 L320 M323 Q324 W328 R412	Y267-W326 HydrophobicContact CD1-CB 3.97Å; Y267-W326 AromaticContact CD1-CD1 3.41Å; Y267-W326 VanDerWaalsContact CD1-CD1 3.41Å; Y267-W326 AromaticContact CD1-CD2 3.47Å; Y267-W326 HydrophobicContact CD1-CD2 3.47Å; Y267-W326 VanDerWaalsContact CD1-CD2 3.47Å; Y267-W326 AromaticContact CD1-CE2 3.56Å; Y267-W326 HydrophobicContact CD1-CE3 4.14Å; Y267-W326 AromaticContact CD1-CG 3.38Å; Y267-W326 HydrophobicContact CD1-CG 3.38Å; Y267-W326 HydrophobicContact CD1-CZ2 4.26Å; Y267-W326 AromaticContact CD1-NE1 3.55Å; Y267-W326 HydrophobicContact CD2-CB 4.45Å; Y267-W326 HydrophobicContact CE1-CB 3.95Å; Y267-W326 AromaticContact CE1-CD1 3.36Å; Y267-W326 HydrophobicContact CE1-CD2 4.19Å; Y267-W326 AromaticContact CE1-CG 3.6Å; Y267-W326 HydrophobicContact CE1-CG 3.6Å; Y267-W326 AromaticContact CE1-NE1 3.84Å; Y267-W326 HydrophobicContact CE2-CB 4.42Å; Y267-W326 HydrophobicContact CG-CB 4.2Å; Y267-W326 AromaticContact CG-CD2 3.85Å; Y267-W326 HydrophobicContact CG-CD2 3.85Å; Y267-W326 HydrophobicContact CG-CE3 4.08Å; Y267-W326 AromaticContact CG-CG 3.94Å; Y267-W326 HydrophobicContact CG-CG 3.94Å; N292-W326 WeakPolarHBondContact O-CZ2 3.38Å; R294-W326 HydrophobicContact CB-CH2 3.8Å; R294-W326 HydrophobicContact CB-CZ2 4.3Å; R294-W326 VanDerWaalsContact CD-CZ2 3.44Å; R294-W326 HydrophobicContact CG-CH2 3.66Å; R294-W326 HydrophobicContact CG-CZ2 3.63Å; L320-W326 HydrophobicContact CD2-CE3 3.61Å; L320-W326 HydrophobicContact CD2-CZ3 3.89Å; M323-W326 HydrophobicContact CB-CB 4.04Å; M323-W326 HydrophobicContact CB-CG 4.33Å; M323-W326 PolarHBondContact O-N 2.72Å; M323-W326 HydrophobicContact SD-CD2 4.03Å; M323-W326 HydrophobicContact SD-CE3 3.66Å; M323-W326 HydrophobicContact SD-CZ3 4.07Å; Q324-W326 VanDerWaalsContact C-N 3.35Å; W326-W328 VanDerWaalsContact C-N 3.28Å; W326-W328 PolarHBondContact O-N 3.21Å; W326-W328 VanDerWaalsContact O-N 3.12Å; W326-R412 PolarHBondContact O-NH1 3.41Å
327	K	97.8	Very high	98.4	Very high	112 Å²	112	32.8 Å²	32.8	49%	0.487	16%	0.164	S	C	.	.			trans	-88.6	51	-174.7	-57.2	-59.2	-165.5	-165.1	0	112.7	R239 Y267 Q324 E325	R239-K327 PolarHBondContact NE-O 2.86Å; R239-K327 VanDerWaalsContact NH2-CB 3.31Å; R239-K327 PolarHBondContact NH2-O 2.89Å; R239-K327 VanDerWaalsContact NH2-O 3.17Å; Y267-K327 PolarHBondContact OH-N 3.06Å; Y267-K327 VanDerWaalsContact OH-N 3.08Å; Q324-K327 WeakPolarHBondContact O-CD 3.29Å; Q324-K327 WeakPolarHBondContact O-CE 3.46Å; Q324-K327 PolarHBondContact O-NZ 3.29Å; E325-K327 PolarHBondContact O-N 2.7Å
328	W	98.6	Very high	98.3	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.011	16%	0.164	C	C	.	.			trans	-72.8	149.8	177.3	60.4	-89.4	0	0	0	113.3	A241 Y267 L320 L321 W326 F331 R412 V415	A241-W328 HydrophobicContact CB-CB 3.76Å; A241-W328 HydrophobicContact CB-CD2 3.89Å; A241-W328 HydrophobicContact CB-CE3 4.22Å; A241-W328 HydrophobicContact CB-CG 3.67Å; Y267-W328 HydrophobicContact CD2-CB 3.82Å; Y267-W328 HydrophobicContact CE2-CB 4.08Å; L320-W328 HydrophobicContact CB-CZ2 3.85Å; L320-W328 PolarHBondContact O-NE1 3.22Å; L321-W328 HydrophobicContact CD2-CH2 4.25Å; L321-W328 HydrophobicContact CD2-CZ2 3.88Å; L321-W328 HydrophobicContact CG-CZ2 4.18Å; W326-W328 VanDerWaalsContact C-N 3.28Å; W326-W328 PolarHBondContact O-N 3.21Å; W326-W328 VanDerWaalsContact O-N 3.12Å; W328-F331 HydrophobicContact CZ3-CB 4.08Å; W328-R412 VanDerWaalsContact CD1-NH1 3.27Å; W328-R412 HydrophobicContact CD2-CG 4.45Å; W328-R412 HydrophobicContact CE3-CB 4.01Å; W328-R412 HydrophobicContact CE3-CG 4.16Å; W328-R412 HydrophobicContact CH2-CB 4.04Å; W328-R412 HydrophobicContact CH2-CG 3.69Å; W328-R412 HydrophobicContact CZ2-CG 3.99Å; W328-R412 HydrophobicContact CZ3-CB 3.64Å; W328-R412 HydrophobicContact CZ3-CG 3.79Å; W328-R412 VanDerWaalsContact NE1-NH1 3.19Å; W328-R412 WeakPolarHBondContact O-CD 3.46Å; W328-R412 PolarHBondContact O-NH1 3.35Å; W328-V415 HydrophobicContact CH2-CB 3.97Å; W328-V415 HydrophobicContact CH2-CG1 3.81Å; W328-V415 HydrophobicContact CH2-CG2 4.34Å
329	D	98.8	Very high	98.3	Very high	35 Å²	35	29 Å²	29	19%	0.187	15%	0.147	C	C	.	.	S	Bend	trans	-104.4	-37.3	177.2	-62.4	-89.5	0	0	0	112.8	V238 R239 R355 R412	V238-D329 WeakPolarHBondContact CA-OD2 3.38Å; V238-D329 HydrophobicContact CB-CB 4.02Å; V238-D329 HydrophobicContact CG1-CB 4.04Å; R239-D329 PolarHBondContact N-OD2 3.39Å; R239-D329 PolarHBondContact O-N 2.87Å; D329-R355 IonicContact OD1-CZ 3.2Å; D329-R355 IonicContact OD1-NE 2.7Å; D329-R355 PolarHBondContact OD1-NE 2.77Å; D329-R355 IonicContact OD1-NH2 2.79Å; D329-R355 PolarHBondContact OD1-NH2 3.08Å; D329-R355 IonicContact OD2-NH2 3.15Å; D329-R355 PolarHBondContact OD2-NH2 3.38Å; D329-R355 VanDerWaalsContact OD2-NH2 3.15Å; D329-R412 PolarHBondContact O-N 3.35Å
330	F	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.2	-177.4	-85.4	-83.2	0	0	0	112.4	V238 R239 A241 L351 R355 K357 F359 L410 T411	V238-F330 HydrophobicContact CB-CD2 4.27Å; V238-F330 HydrophobicContact CG1-CD2 4.15Å; V238-F330 HydrophobicContact CG1-CE2 4.13Å; V238-F330 HydrophobicContact CG2-CD2 4.37Å; R239-F330 PolarHBondContact O-N 2.84Å; A241-F330 PolarHBondContact N-O 3.08Å; F330-L351 HydrophobicContact CD1-CD2 4.32Å; F330-L351 HydrophobicContact CD2-CB 4.06Å; F330-L351 HydrophobicContact CD2-CD1 4.24Å; F330-L351 HydrophobicContact CD2-CD2 4.46Å; F330-L351 HydrophobicContact CD2-CG 4.5Å; F330-L351 HydrophobicContact CE1-CD2 4.05Å; F330-L351 HydrophobicContact CE2-CB 3.82Å; F330-L351 HydrophobicContact CE2-CD2 4.19Å; F330-L351 HydrophobicContact CE2-CG 4.44Å; F330-L351 HydrophobicContact CG-CD1 4.28Å; F330-L351 HydrophobicContact CZ-CB 4.4Å; F330-L351 HydrophobicContact CZ-CD2 3.98Å; F330-R355 HydrophobicContact CE2-CG 4.39Å; F330-K357 WeakPolarHBondContact CE1-O 3.45Å; F330-F359 HydrophobicContact CE1-CD2 4.24Å; F330-F359 HydrophobicContact CE1-CE2 4.17Å; F330-F359 HydrophobicContact CZ-CE2 4.33Å; F330-L410 CarbonylContact C-O 3.56Å; F330-L410 WeakPolarHBondContact CA-O 3.25Å; F330-T411 HydrophobicContact CE1-CG2 3.87Å; F330-T411 HydrophobicContact CZ-CG2 4.1Å
331	F	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.2	166.6	-179.2	-74.5	0	0	0	108.9	A241 V243 Y313 M317 L320 W328 N333 F408 A409 L410 V415	A241-F331 WeakPolarHBondContact O-CA 3.36Å; V243-F331 HydrophobicContact CB-CE1 4.36Å; V243-F331 HydrophobicContact CB-CE2 4.09Å; V243-F331 HydrophobicContact CB-CZ 3.79Å; V243-F331 HydrophobicContact CG1-CZ 4.2Å; V243-F331 HydrophobicContact CG2-CD2 3.92Å; V243-F331 HydrophobicContact CG2-CE1 4.37Å; V243-F331 HydrophobicContact CG2-CE2 3.35Å; V243-F331 HydrophobicContact CG2-CZ 3.61Å; Y313-F331 HydrophobicContact CD1-CE1 4.37Å; Y313-F331 HydrophobicContact CD1-CZ 4.06Å; M317-F331 HydrophobicContact CB-CE2 4.48Å; M317-F331 HydrophobicContact CE-CD1 3.82Å; M317-F331 HydrophobicContact CE-CD2 4.08Å; M317-F331 HydrophobicContact CE-CE1 3.6Å; M317-F331 HydrophobicContact CE-CE2 3.84Å; M317-F331 HydrophobicContact CE-CG 4.07Å; M317-F331 HydrophobicContact CE-CZ 3.6Å; M317-F331 HydrophobicContact CG-CD2 3.73Å; M317-F331 HydrophobicContact CG-CE2 3.37Å; M317-F331 HydrophobicContact CG-CZ 3.99Å; L320-F331 HydrophobicContact CD1-CD2 3.89Å; L320-F331 HydrophobicContact CD1-CE2 3.98Å; W328-F331 HydrophobicContact CZ3-CB 4.08Å; F331-N333 HydrophobicContact CE1-CB 4.2Å; F331-F408 HydrophobicContact CD1-CD2 4.47Å; F331-F408 AromaticContact CD1-CE2 3.92Å; F331-F408 HydrophobicContact CD1-CE2 3.92Å; F331-F408 AromaticContact CE1-CE2 3.74Å; F331-F408 HydrophobicContact CE1-CE2 3.74Å; F331-A409 CarbonylContact O-C 3.54Å; F331-A409 WeakPolarHBondContact O-CA 3.48Å; F331-L410 PolarHBondContact N-O 3.4Å; F331-L410 PolarHBondContact O-N 3.49Å; F331-V415 HydrophobicContact CB-CG2 4.02Å; F331-V415 HydrophobicContact CG-CG2 4.49Å
332	I	98.9	Very high	98	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.6	175.2	-58.7	-170.9	0	0	0	109.6	V240 A241 F242 V243 L351 A409 F508	V240-I332 HydrophobicContact CG1-CB 4.04Å; V240-I332 HydrophobicContact CG1-CD1 3.73Å; V240-I332 HydrophobicContact CG1-CG1 3.72Å; V240-I332 HydrophobicContact CG2-CD1 4.46Å; A241-I332 PolarHBondContact O-N 2.69Å; F242-I332 CarbonylContact C-O 3.55Å; F242-I332 WeakPolarHBondContact CA-O 3.43Å; F242-I332 HydrophobicContact CD1-CB 4.03Å; F242-I332 HydrophobicContact CD1-CG2 4.17Å; F242-I332 HydrophobicContact CE1-CB 4.21Å; F242-I332 HydrophobicContact CE1-CD1 4.31Å; F242-I332 HydrophobicContact CE1-CG2 4.2Å; V243-I332 PolarHBondContact N-O 2.77Å; I332-L351 HydrophobicContact CD1-CD1 3.97Å; I332-A409 HydrophobicContact CD1-CB 4.03Å; I332-A409 HydrophobicContact CG1-CB 3.75Å; I332-F508 HydrophobicContact CG2-CE2 4.36Å
333	N	98.8	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.8	175.8	61.5	-20.9	0	0	0	112.8	V243 Y313 F331 D406 W407 F408 R463	V243-N333 WeakPolarHBondContact O-CA 3.46Å; Y313-N333 HydrophobicContact CE1-CB 3.64Å; Y313-N333 VanDerWaalsContact CZ-ND2 3.35Å; Y313-N333 PolarHBondContact OH-ND2 3.4Å; F331-N333 HydrophobicContact CE1-CB 4.2Å; N333-D406 PolarHBondContact ND2-O 3.19Å; N333-W407 HydrophobicContact CB-CE3 4.31Å; N333-W407 HydrophobicContact CB-CZ3 4.17Å; N333-F408 PolarHBondContact OD1-N 2.93Å; N333-F408 PolarHBondContact OD1-O 2.79Å; N333-R463 VanDerWaalsContact O-CZ 3.27Å; N333-R463 PolarHBondContact O-NH1 2.89Å; N333-R463 PolarHBondContact O-NH2 3.03Å; N333-R463 PolarHBondContact OD1-NH2 3.1Å; N333-R463 VanDerWaalsContact OD1-NH2 3.13Å
334	L	98.9	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.1	174.8	-65.1	171	0	0	0	110.4	F242 V243 L244 M245 I261 D338 W407 F508	F242-L334 HydrophobicContact CD1-CD1 3.68Å; F242-L334 HydrophobicContact CD1-CG 4.44Å; F242-L334 HydrophobicContact CE1-CD1 4.17Å; V243-L334 PolarHBondContact O-N 3.46Å; L244-L334 WeakPolarHBondContact CA-O 3.37Å; L244-L334 HydrophobicContact CG-CB 4.43Å; M245-L334 PolarHBondContact N-O 2.85Å; I261-L334 HydrophobicContact CD1-CD1 3.63Å; L334-D338 HydrophobicContact CB-CB 4.39Å; L334-D338 HydrophobicContact CD2-CB 3.75Å; L334-W407 VanDerWaalsContact C-CZ3 3.46Å; L334-F508 HydrophobicContact CD1-CD1 4.5Å; L334-F508 HydrophobicContact CD1-CE1 4.12Å; L334-F508 HydrophobicContact CD2-CB 4.42Å; L334-F508 HydrophobicContact CD2-CD1 3.68Å; L334-F508 HydrophobicContact CD2-CD2 4.44Å; L334-F508 HydrophobicContact CD2-CE1 4.05Å; L334-F508 HydrophobicContact CD2-CG 3.92Å
335	S	98.6	Very high	97.8	Very high	8 Å²	8	26.4 Å²	26.4	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	167.3	163.6	73.3	0	0	0	0	110.5	L257 T337 D338 R510	L257-S335 WeakPolarHBondContact CD2-O 3.41Å; S335-T337 PolarHBondContact O-N 2.79Å; S335-T337 PolarHBondContact OG-N 3.17Å; S335-T337 PolarHBondContact OG-OG1 2.65Å; S335-D338 WeakPolarHBondContact CB-OD2 3.46Å; S335-D338 PolarHBondContact N-OD2 2.93Å; S335-D338 PolarHBondContact O-N 2.81Å; S335-D338 VanDerWaalsContact O-N 3.08Å; S335-D338 PolarHBondContact OG-N 3.4Å; S335-D338 PolarHBondContact OG-OD2 2.88Å; S335-R510 PolarHBondContact OG-NH2 2.89Å
336	A	98.1	Very high	97.6	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.7	170.1	0	0	0	0	0	114	V246 L254	V246-A336 HydrophobicContact CB-CB 4.24Å; V246-A336 HydrophobicContact CG1-CB 3.94Å; L254-A336 HydrophobicContact CB-CB 4.48Å; L254-A336 HydrophobicContact CD1-CB 4.37Å
337	T	98.4	Very high	97.5	Very high	25 Å²	25	23.8 Å²	23.8	15%	0.153	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	6.7	178.5	63.3	0	0	0	0	113.1	S335 R510 K511 F512 E513	S335-T337 PolarHBondContact O-N 2.79Å; S335-T337 PolarHBondContact OG-N 3.17Å; S335-T337 PolarHBondContact OG-OG1 2.65Å; T337-R510 PolarHBondContact OG1-NH2 2.93Å; T337-K511 CarbonylContact O-C 3.31Å; T337-K511 VanDerWaalsContact O-CA 3.3Å; T337-K511 WeakPolarHBondContact O-CA 3.44Å; T337-K511 WeakPolarHBondContact OG1-CE 3.33Å; T337-F512 WeakPolarHBondContact CA-O 3.34Å; T337-F512 VanDerWaalsContact CB-O 3.32Å; T337-F512 WeakPolarHBondContact CB-O 3.45Å; T337-F512 WeakPolarHBondContact CG2-O 3.43Å; T337-F512 PolarHBondContact O-N 2.8Å; T337-E513 HydrophobicContact CG2-CG 3.97Å
338	D	98.8	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	154.5	166.4	-71.5	-119.2	0	0	0	109.5	L257 L334 S335 R463 A509 R510	L257-D338 WeakPolarHBondContact CD1-O 3.33Å; L334-D338 HydrophobicContact CB-CB 4.39Å; L334-D338 HydrophobicContact CD2-CB 3.75Å; S335-D338 WeakPolarHBondContact CB-OD2 3.46Å; S335-D338 PolarHBondContact N-OD2 2.93Å; S335-D338 PolarHBondContact O-N 2.81Å; S335-D338 VanDerWaalsContact O-N 3.08Å; S335-D338 PolarHBondContact OG-N 3.4Å; S335-D338 PolarHBondContact OG-OD2 2.88Å; D338-R463 IonicContact OD1-NH1 3.91Å; D338-R463 PolarHBondContact OD1-NH1 3.23Å; D338-R463 VanDerWaalsContact OD1-NH1 3.13Å; D338-A509 CarbonylContact C-O 3.58Å; D338-A509 WeakPolarHBondContact CA-O 3.45Å; D338-R510 WeakPolarHBondContact OD1-CD 3.4Å; D338-R510 IonicContact OD1-NE 2.82Å; D338-R510 IonicContact OD2-CZ 2.7Å; D338-R510 IonicContact OD2-NE 2.62Å; D338-R510 PolarHBondContact OD2-NE 3.21Å; D338-R510 IonicContact OD2-NH2 2.69Å
339	F	98.5	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.2	170.3	-150.8	-103	0	0	0	110.6	R256 L257 A260 F508 A509 F512 I521 L524 D525	R256-F339 HydrophobicContact CG-CE2 4.37Å; L257-F339 HydrophobicContact CD1-CD2 4.23Å; A260-F339 HydrophobicContact CB-CE2 4.28Å; A260-F339 HydrophobicContact CB-CZ 3.94Å; F339-F508 CarbonylContact O-C 3.53Å; F339-F508 WeakPolarHBondContact O-CA 3.35Å; F339-A509 PolarHBondContact N-O 3.37Å; F339-A509 PolarHBondContact O-N 3.12Å; F339-F512 HydrophobicContact CB-CD2 3.54Å; F339-F512 HydrophobicContact CB-CE2 3.58Å; F339-F512 HydrophobicContact CB-CG 4.25Å; F339-F512 HydrophobicContact CB-CZ 4.31Å; F339-I521 HydrophobicContact CD2-CG2 4.18Å; F339-I521 HydrophobicContact CE1-CG2 4.35Å; F339-I521 HydrophobicContact CE2-CG2 3.9Å; F339-I521 HydrophobicContact CZ-CG2 4Å; F339-L524 HydrophobicContact CD1-CB 4.45Å; F339-L524 HydrophobicContact CD1-CD2 3.88Å; F339-L524 HydrophobicContact CD1-CG 4.03Å; F339-L524 HydrophobicContact CE1-CG 4.43Å; F339-D525 HydrophobicContact CE1-CB 4.15Å; F339-D525 HydrophobicContact CZ-CB 4.11Å
340	P	97.9	Very high	97	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.019	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	149.7	174.8	24.6	-34.5	0	0	0	112.2	A260 I261 F507 F508 L524 L528	A260-P340 HydrophobicContact CB-CG 3.94Å; I261-P340 HydrophobicContact CG2-CB 4.48Å; I261-P340 HydrophobicContact CG2-CG 4.08Å; P340-F507 CarbonylContact C-O 3.55Å; P340-F507 WeakPolarHBondContact CA-O 3.45Å; P340-F508 HydrophobicContact CB-CD1 4.2Å; P340-F508 HydrophobicContact CB-CE1 4.12Å; P340-L524 WeakPolarHBondContact O-CD2 3.44Å; P340-L528 HydrophobicContact CB-CD1 4.15Å; P340-L528 HydrophobicContact CG-CD1 4.25Å; P340-L528 WeakPolarHBondContact O-CD1 3.34Å
341	T	95.9	Very high	96.9	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.043	9%	0.094	C	C	.	.	S	Bend	trans	-121	-2.9	176.5	51.9	0	0	0	0	113.6	I464 I499 T506 F507 F508 A509 L524	T341-I464 HydrophobicContact CG2-CD1 4.28Å; T341-I499 HydrophobicContact CG2-CD1 4.05Å; T341-I499 HydrophobicContact CG2-CG2 3.58Å; T341-T506 PolarHBondContact OG1-O 3.06Å; T341-F507 PolarHBondContact N-O 2.56Å; T341-F507 WeakPolarHBondContact OG1-CA 3.21Å; T341-F507 PolarHBondContact OG1-O 3.32Å; T341-F508 PolarHBondContact OG1-N 2.84Å; T341-A509 HydrophobicContact CG2-CB 3.41Å; T341-A509 VanDerWaalsContact CG2-CB 3.41Å; T341-L524 HydrophobicContact CG2-CD2 4.3Å
342	R	95	Very high	96.8	Very high	117 Å²	117	19.9 Å²	19.9	44%	0.442	10%	0.101	S	C	.	.	S	Bend	trans	-143.4	164.7	174.3	-68.6	-57.5	-170.9	113.1	-2.3	107.6	E346 T506 F507	R342-E346 HydrophobicContact CB-CB 4.37Å; R342-E346 WeakPolarHBondContact CD-OE1 3.44Å; R342-E346 IonicContact CZ-OE1 2.31Å; R342-E346 IonicContact NE-OE1 3.67Å; R342-E346 IonicContact NH1-OE1 3.57Å; R342-E346 PolarHBondContact NH1-OE1 3.38Å; R342-T506 WeakPolarHBondContact CG-O 3.32Å; R342-F507 HydrophobicContact CB-CD1 3.63Å; R342-F507 HydrophobicContact CB-CE1 4.06Å; R342-F507 HydrophobicContact CB-CG 4.49Å; R342-F507 HydrophobicContact CG-CD1 4.08Å; R342-F507 HydrophobicContact CG-CE1 4.28Å
343	T	95.8	Very high	96.5	Very high	36 Å²	36	24 Å²	24	22%	0.221	12%	0.122	C	C	.	.			trans	-68	161.3	178.7	61.2	0	0	0	0	111.9	D345 E346 L347 Y529	T343-D345 PolarHBondContact O-N 3.21Å; T343-E346 WeakPolarHBondContact CB-OE2 3.45Å; T343-E346 PolarHBondContact N-OE2 2.8Å; T343-E346 VanDerWaalsContact OG1-CG 3.27Å; T343-E346 WeakPolarHBondContact OG1-CG 3.37Å; T343-E346 PolarHBondContact OG1-N 2.91Å; T343-E346 PolarHBondContact OG1-OE2 2.79Å; T343-L347 PolarHBondContact O-N 3.03Å; T343-Y529 HydrophobicContact CG2-CE1 4.39Å
344	N	96.8	Very high	96.3	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.064	13%	0.133	C	C	.	.	H	α-helix	trans	-51.5	-38.7	167.3	168	78.4	0	0	0	111.9	H266 L347 V348	H266-N344 PolarHBondContact CD2-OD1 3.49Å; H266-N344 VanDerWaalsContact CD2-OD1 3.3Å; H266-N344 PolarHBondContact NE2-OD1 3.34Å; N344-L347 WeakPolarHBondContact O-CB 3.43Å; N344-L347 PolarHBondContact O-N 3.5Å; N344-V348 WeakPolarHBondContact O-CG2 3.29Å; N344-V348 PolarHBondContact O-N 3.17Å
345	D	94.6	Very high	96.1	Very high	73 Å²	73	30 Å²	30	39%	0.39	15%	0.147	S	C	.	.	H	α-helix	trans	-74.8	-43	-167	-61.9	8.2	0	0	0	110.3	L231 T343 L347 V348 M349	L231-D345 HydrophobicContact CD1-CB 3.49Å; L231-D345 VanDerWaalsContact CD1-CB 3.49Å; L231-D345 VanDerWaalsContact CD1-CG 3.44Å; L231-D345 HydrophobicContact CG-CB 3.97Å; T343-D345 PolarHBondContact O-N 3.21Å; D345-L347 VanDerWaalsContact C-N 3.29Å; D345-L347 PolarHBondContact O-N 2.93Å; D345-V348 PolarHBondContact O-N 3.33Å; D345-M349 WeakPolarHBondContact O-CB 3.44Å; D345-M349 PolarHBondContact O-N 3.31Å
346	E	93.8	Very high	96	Very high	49 Å²	49	33.7 Å²	33.7	23%	0.229	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-37.3	169.3	-65.9	166	95.5	0	0	112.3	R342 T343 F350 F507	R342-E346 HydrophobicContact CB-CB 4.37Å; R342-E346 WeakPolarHBondContact CD-OE1 3.44Å; R342-E346 IonicContact CZ-OE1 2.31Å; R342-E346 IonicContact NE-OE1 3.67Å; R342-E346 IonicContact NH1-OE1 3.57Å; R342-E346 PolarHBondContact NH1-OE1 3.38Å; T343-E346 WeakPolarHBondContact CB-OE2 3.45Å; T343-E346 PolarHBondContact N-OE2 2.8Å; T343-E346 VanDerWaalsContact OG1-CG 3.27Å; T343-E346 WeakPolarHBondContact OG1-CG 3.37Å; T343-E346 PolarHBondContact OG1-N 2.91Å; T343-E346 PolarHBondContact OG1-OE2 2.79Å; E346-F350 VanDerWaalsContact O-CB 3.23Å; E346-F350 WeakPolarHBondContact O-CB 3.31Å; E346-F350 PolarHBondContact O-N 2.95Å; E346-F507 HydrophobicContact CB-CE1 3.93Å; E346-F507 WeakPolarHBondContact O-CE1 3.44Å
347	L	96.4	Very high	95.9	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-49.9	178.5	175.1	65.9	0	0	0	111.6	F242 T343 N344 D345 M349 F350 L351 F507 F508	F242-L347 HydrophobicContact CE1-CD2 4.46Å; F242-L347 HydrophobicContact CZ-CD2 4.01Å; T343-L347 PolarHBondContact O-N 3.03Å; N344-L347 WeakPolarHBondContact O-CB 3.43Å; N344-L347 PolarHBondContact O-N 3.5Å; D345-L347 VanDerWaalsContact C-N 3.29Å; D345-L347 PolarHBondContact O-N 2.93Å; L347-M349 VanDerWaalsContact C-N 3.34Å; L347-F350 PolarHBondContact O-N 3.24Å; L347-L351 HydrophobicContact CD1-CD1 3.64Å; L347-L351 HydrophobicContact CD1-CG 4.04Å; L347-L351 HydrophobicContact CG-CD1 4.02Å; L347-L351 WeakPolarHBondContact O-CB 3.43Å; L347-L351 WeakPolarHBondContact O-CG 3.22Å; L347-L351 PolarHBondContact O-N 3.24Å; L347-F507 HydrophobicContact CB-CD1 3.74Å; L347-F507 HydrophobicContact CB-CE1 4.24Å; L347-F507 HydrophobicContact CB-CG 4.39Å; L347-F507 HydrophobicContact CD1-CB 3.84Å; L347-F507 HydrophobicContact CD1-CD1 3.91Å; L347-F507 HydrophobicContact CD1-CD2 4.19Å; L347-F507 HydrophobicContact CD1-CG 3.7Å; L347-F507 HydrophobicContact CG-CD1 4.44Å; L347-F508 HydrophobicContact CD1-CE2 4.36Å; L347-F508 HydrophobicContact CD2-CE2 3.92Å; L347-F508 HydrophobicContact CD2-CZ 3.78Å
348	V	97.1	Very high	95.9	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.048	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-45	178.1	170.7	0	0	0	0	110.3	L231 P237 V238 H266 N344 D345 S352	L231-V348 HydrophobicContact CD2-CB 4.28Å; L231-V348 HydrophobicContact CD2-CG1 4.08Å; P237-V348 HydrophobicContact CB-CG1 3.63Å; V238-V348 HydrophobicContact CG2-CG1 4.32Å; H266-V348 VanDerWaalsContact CE1-CG2 3.47Å; H266-V348 WeakPolarHBondContact CE1-CG2 3.22Å; H266-V348 WeakPolarHBondContact NE2-CG2 3.32Å; N344-V348 WeakPolarHBondContact O-CG2 3.29Å; N344-V348 PolarHBondContact O-N 3.17Å; D345-V348 PolarHBondContact O-N 3.33Å; V348-S352 VanDerWaalsContact O-CB 3.26Å; V348-S352 WeakPolarHBondContact O-CB 3.37Å; V348-S352 PolarHBondContact O-N 2.86Å; V348-S352 PolarHBondContact O-OG 3.32Å
349	M	93.1	Very high	95.9	Very high	30 Å²	30	33.4 Å²	33.4	15%	0.148	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-52.7	175.1	178	-168.3	87.7	0	0	112.2	F229 L231 D345 L347 L351 S352 M353	F229-M349 HydrophobicContact CB-CE 4.07Å; F229-M349 HydrophobicContact CB-CG 4.39Å; F229-M349 HydrophobicContact CB-SD 3.25Å; F229-M349 WeakPolarHBondContact CB-SD 3.26Å; F229-M349 HydrophobicContact CD1-SD 4.35Å; F229-M349 HydrophobicContact CD2-CE 4.01Å; F229-M349 HydrophobicContact CD2-SD 4.31Å; F229-M349 HydrophobicContact CG-CE 4.05Å; F229-M349 HydrophobicContact CG-SD 3.78Å; L231-M349 HydrophobicContact CD2-CB 4.24Å; D345-M349 WeakPolarHBondContact O-CB 3.44Å; D345-M349 PolarHBondContact O-N 3.31Å; L347-M349 VanDerWaalsContact C-N 3.34Å; M349-L351 PolarHBondContact O-N 3.47Å; M349-S352 PolarHBondContact O-N 2.84Å; M349-M353 HydrophobicContact CG-CE 4.27Å; M349-M353 PolarHBondContact O-N 2.96Å
350	F	94.6	Very high	95.8	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.035	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-45.5	-179.7	175.6	-93.5	0	0	0	112.5	E346 L347 M353 H354 F359 L462 P505 F507	E346-F350 VanDerWaalsContact O-CB 3.23Å; E346-F350 WeakPolarHBondContact O-CB 3.31Å; E346-F350 PolarHBondContact O-N 2.95Å; L347-F350 PolarHBondContact O-N 3.24Å; F350-M353 PolarHBondContact O-N 3.11Å; F350-H354 AromaticContact CD2-CE1 3.94Å; F350-H354 AromaticContact CD2-ND1 3.96Å; F350-H354 AromaticContact CE2-CE1 3.55Å; F350-H354 AromaticContact CE2-ND1 3.77Å; F350-H354 AromaticContact CZ-CE1 4Å; F350-H354 AromaticContact CZ-ND1 3.91Å; F350-H354 PolarHBondContact O-N 2.76Å; F350-H354 PolarHBondContact O-ND1 2.8Å; F350-F359 AromaticContact CE1-CE1 3.68Å; F350-F359 HydrophobicContact CE1-CE1 3.68Å; F350-F359 HydrophobicContact CE1-CE2 4.44Å; F350-F359 AromaticContact CE1-CZ 3.62Å; F350-F359 HydrophobicContact CE1-CZ 3.62Å; F350-F359 AromaticContact CZ-CE1 3.84Å; F350-F359 HydrophobicContact CZ-CE1 3.84Å; F350-F359 HydrophobicContact CZ-CZ 4.06Å; F350-L462 HydrophobicContact CD1-CD1 4.27Å; F350-L462 HydrophobicContact CD1-CD2 4.49Å; F350-L462 HydrophobicContact CE1-CD1 3.87Å; F350-L462 HydrophobicContact CE1-CD2 3.61Å; F350-L462 HydrophobicContact CE1-CG 4.4Å; F350-L462 HydrophobicContact CZ-CD2 3.95Å; F350-P505 HydrophobicContact CD2-CB 4.33Å; F350-P505 HydrophobicContact CE2-CB 3.78Å; F350-P505 HydrophobicContact CE2-CG 3.82Å; F350-P505 HydrophobicContact CZ-CB 4Å; F350-P505 HydrophobicContact CZ-CG 4.34Å; F350-F507 HydrophobicContact CB-CE1 4.2Å; F350-F507 HydrophobicContact CB-CE2 3.99Å; F350-F507 HydrophobicContact CB-CZ 3.43Å; F350-F507 VanDerWaalsContact CB-CZ 3.43Å; F350-F507 HydrophobicContact CD1-CD2 4.43Å; F350-F507 AromaticContact CD1-CE2 3.54Å; F350-F507 HydrophobicContact CD1-CE2 3.54Å; F350-F507 AromaticContact CD1-CZ 3.94Å; F350-F507 HydrophobicContact CD1-CZ 3.94Å; F350-F507 HydrophobicContact CD2-CE2 4.17Å; F350-F507 HydrophobicContact CD2-CZ 4.11Å; F350-F507 HydrophobicContact CE1-CE2 4.07Å; F350-F507 AromaticContact CG-CE2 3.61Å; F350-F507 HydrophobicContact CG-CE2 3.61Å; F350-F507 AromaticContact CG-CZ 3.55Å; F350-F507 HydrophobicContact CG-CZ 3.55Å
351	L	96.6	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-29.3	179.6	-69.6	177.2	0	0	0	112.8	V238 V240 F330 I332 L347 M349 M353 H354 R355 F359 L462	V238-L351 HydrophobicContact CG2-CB 3.62Å; V240-L351 HydrophobicContact CG2-CD1 4.21Å; F330-L351 HydrophobicContact CD1-CD2 4.32Å; F330-L351 HydrophobicContact CD2-CB 4.06Å; F330-L351 HydrophobicContact CD2-CD1 4.24Å; F330-L351 HydrophobicContact CD2-CD2 4.46Å; F330-L351 HydrophobicContact CD2-CG 4.5Å; F330-L351 HydrophobicContact CE1-CD2 4.05Å; F330-L351 HydrophobicContact CE2-CB 3.82Å; F330-L351 HydrophobicContact CE2-CD2 4.19Å; F330-L351 HydrophobicContact CE2-CG 4.44Å; F330-L351 HydrophobicContact CG-CD1 4.28Å; F330-L351 HydrophobicContact CZ-CB 4.4Å; F330-L351 HydrophobicContact CZ-CD2 3.98Å; I332-L351 HydrophobicContact CD1-CD1 3.97Å; L347-L351 HydrophobicContact CD1-CD1 3.64Å; L347-L351 HydrophobicContact CD1-CG 4.04Å; L347-L351 HydrophobicContact CG-CD1 4.02Å; L347-L351 WeakPolarHBondContact O-CB 3.43Å; L347-L351 WeakPolarHBondContact O-CG 3.22Å; L347-L351 PolarHBondContact O-N 3.24Å; M349-L351 PolarHBondContact O-N 3.47Å; L351-M353 VanDerWaalsContact C-N 3.35Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 PolarHBondContact O-N 3.48Å; L351-R355 WeakPolarHBondContact O-CA 3.24Å; L351-R355 PolarHBondContact O-N 2.85Å; L351-R355 VanDerWaalsContact O-N 3.13Å; L351-F359 HydrophobicContact CD2-CD2 4.16Å; L351-F359 HydrophobicContact CD2-CE2 3.75Å; L351-F359 HydrophobicContact CD2-CZ 4.44Å; L351-L462 HydrophobicContact CD2-CD1 4.09Å
352	S	95.9	Very high	95.5	Very high	21 Å²	21	37.1 Å²	37.1	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-36	174.8	-57.6	0	0	0	0	112	V238 V348 M349 H354	V238-S352 PolarHBondContact N-OG 2.99Å; V348-S352 VanDerWaalsContact O-CB 3.26Å; V348-S352 WeakPolarHBondContact O-CB 3.37Å; V348-S352 PolarHBondContact O-N 2.86Å; V348-S352 PolarHBondContact O-OG 3.32Å; M349-S352 PolarHBondContact O-N 2.84Å; S352-H354 VanDerWaalsContact C-N 3.25Å; S352-H354 PolarHBondContact O-N 3.49Å
353	M	92.4	Very high	95.2	Very high	91 Å²	91	33.7 Å²	33.7	45%	0.448	17%	0.167	S	C	.	.	H	α-helix	trans	-70.6	-17.7	173.2	-66.9	-174.1	-68.6	0	0	113.7	F229 M349 F350 L351	F229-M353 HydrophobicContact CD1-SD 4.41Å; F229-M353 HydrophobicContact CE1-CE 4.02Å; F229-M353 HydrophobicContact CE1-SD 3.77Å; F229-M353 HydrophobicContact CZ-CE 4.29Å; F229-M353 HydrophobicContact CZ-SD 4.43Å; M349-M353 HydrophobicContact CG-CE 4.27Å; M349-M353 PolarHBondContact O-N 2.96Å; F350-M353 PolarHBondContact O-N 3.11Å; L351-M353 VanDerWaalsContact C-N 3.35Å
354	H	94.8	Very high	94.3	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.236	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	35.7	-175.2	-58.7	92.2	0	0	0	112.2	F350 L351 S352 D356 K357 F359	F350-H354 AromaticContact CD2-CE1 3.94Å; F350-H354 AromaticContact CD2-ND1 3.96Å; F350-H354 AromaticContact CE2-CE1 3.55Å; F350-H354 AromaticContact CE2-ND1 3.77Å; F350-H354 AromaticContact CZ-CE1 4Å; F350-H354 AromaticContact CZ-ND1 3.91Å; F350-H354 PolarHBondContact O-N 2.76Å; F350-H354 PolarHBondContact O-ND1 2.8Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 PolarHBondContact O-N 3.48Å; S352-H354 VanDerWaalsContact C-N 3.25Å; S352-H354 PolarHBondContact O-N 3.49Å; H354-D356 PolarHBondContact O-N 2.96Å; H354-K357 HydrophobicContact CB-CB 4.29Å; H354-K357 HydrophobicContact CB-CG 4.2Å; H354-K357 PolarHBondContact O-N 3.47Å; H354-F359 HydrophobicContact CB-CE2 4.3Å; H354-F359 HydrophobicContact CB-CZ 3.75Å
355	R	95.4	Very high	93.2	Very high	74 Å²	74	43.2 Å²	43.2	28%	0.279	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.4	-170.2	-152.4	-169.9	-152.5	112	-4.7	114.6	N236 V238 D329 F330 L351 T411	N236-R355 PolarHBondContact O-NH1 2.97Å; N236-R355 PolarHBondContact OD1-NH1 2.96Å; N236-R355 PolarHBondContact OD1-NH2 3.22Å; V238-R355 HydrophobicContact CG1-CG 3.8Å; D329-R355 IonicContact OD1-CZ 3.2Å; D329-R355 IonicContact OD1-NE 2.7Å; D329-R355 PolarHBondContact OD1-NE 2.77Å; D329-R355 IonicContact OD1-NH2 2.79Å; D329-R355 PolarHBondContact OD1-NH2 3.08Å; D329-R355 IonicContact OD2-NH2 3.15Å; D329-R355 PolarHBondContact OD2-NH2 3.38Å; D329-R355 VanDerWaalsContact OD2-NH2 3.15Å; F330-R355 HydrophobicContact CE2-CG 4.39Å; L351-R355 WeakPolarHBondContact O-CA 3.24Å; L351-R355 PolarHBondContact O-N 2.85Å; L351-R355 VanDerWaalsContact O-N 3.13Å; R355-T411 WeakPolarHBondContact O-CG2 3.42Å
356	D	95.6	Very high	92.7	Very high	85 Å²	85	44.9 Å²	44.9	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-11.1	177	71.6	-51.4	0	0	0	114	H354 T456	H354-D356 PolarHBondContact O-N 2.96Å; D356-T456 VanDerWaalsContact O-CB 3.32Å; D356-T456 WeakPolarHBondContact O-CB 3.05Å; D356-T456 WeakPolarHBondContact O-CG2 3.41Å
357	K	97.2	Very high	92.4	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.126	23%	0.228	C	C	.	.			trans	-96.3	142.8	-169.8	-58.5	-50.4	-177.5	-160.3	0	114.2	F330 H354 F359 T411 T456 V458	F330-K357 WeakPolarHBondContact CE1-O 3.45Å; H354-K357 HydrophobicContact CB-CB 4.29Å; H354-K357 HydrophobicContact CB-CG 4.2Å; H354-K357 PolarHBondContact O-N 3.47Å; K357-F359 HydrophobicContact CB-CE2 4.05Å; K357-F359 HydrophobicContact CB-CZ 4.01Å; K357-F359 WeakPolarHBondContact O-CE2 3.42Å; K357-T411 VanDerWaalsContact O-CG2 3.29Å; K357-T411 WeakPolarHBondContact O-CG2 3.43Å; K357-T456 WeakPolarHBondContact CA-O 3.38Å; K357-V458 HydrophobicContact CB-CG2 3.8Å; K357-V458 HydrophobicContact CD-CG2 4.22Å; K357-V458 HydrophobicContact CG-CG2 3.98Å
358	N	98.2	Very high	92.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.3	177.7	-66.8	-72.3	0	0	0	110.1	L410 T411 F414 L448 T456 V458	N358-L410 HydrophobicContact CB-CD2 4.15Å; N358-T411 PolarHBondContact ND2-OG1 2.98Å; N358-T411 WeakPolarHBondContact OD1-CB 3.42Å; N358-T411 WeakPolarHBondContact OD1-CG2 3.48Å; N358-T411 PolarHBondContact OD1-N 2.9Å; N358-T411 PolarHBondContact OD1-OG1 2.89Å; N358-F414 WeakPolarHBondContact OD1-CB 3.23Å; N358-L448 HydrophobicContact CB-CD2 3.64Å; N358-T456 PolarHBondContact N-O 2.74Å; N358-T456 PolarHBondContact ND2-OG1 3.05Å; N358-V458 PolarHBondContact O-N 2.8Å
359	F	98.1	Very high	91.9	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	95.5	-168.5	-65.4	-84	0	0	0	110.9	F330 F350 L351 H354 K357 F408 A409 V458 N460 L462	F330-F359 HydrophobicContact CE1-CD2 4.24Å; F330-F359 HydrophobicContact CE1-CE2 4.17Å; F330-F359 HydrophobicContact CZ-CE2 4.33Å; F350-F359 AromaticContact CE1-CE1 3.68Å; F350-F359 HydrophobicContact CE1-CE1 3.68Å; F350-F359 HydrophobicContact CE1-CE2 4.44Å; F350-F359 AromaticContact CE1-CZ 3.62Å; F350-F359 HydrophobicContact CE1-CZ 3.62Å; F350-F359 AromaticContact CZ-CE1 3.84Å; F350-F359 HydrophobicContact CZ-CE1 3.84Å; F350-F359 HydrophobicContact CZ-CZ 4.06Å; L351-F359 HydrophobicContact CD2-CD2 4.16Å; L351-F359 HydrophobicContact CD2-CE2 3.75Å; L351-F359 HydrophobicContact CD2-CZ 4.44Å; H354-F359 HydrophobicContact CB-CE2 4.3Å; H354-F359 HydrophobicContact CB-CZ 3.75Å; K357-F359 HydrophobicContact CB-CE2 4.05Å; K357-F359 HydrophobicContact CB-CZ 4.01Å; K357-F359 WeakPolarHBondContact O-CE2 3.42Å; F359-F408 VanDerWaalsContact O-CA 3.31Å; F359-F408 WeakPolarHBondContact O-CA 3.5Å; F359-F408 VanDerWaalsContact O-CB 3.27Å; F359-F408 WeakPolarHBondContact O-CB 3.46Å; F359-A409 HydrophobicContact CB-CB 4.12Å; F359-A409 HydrophobicContact CD2-CB 4.29Å; F359-A409 PolarHBondContact N-O 2.57Å; F359-A409 PolarHBondContact O-N 2.93Å; F359-V458 HydrophobicContact CD1-CB 3.99Å; F359-V458 HydrophobicContact CD1-CG1 3.72Å; F359-V458 HydrophobicContact CE1-CB 4.18Å; F359-V458 HydrophobicContact CE1-CG1 3.83Å; F359-V458 HydrophobicContact CE1-CG2 4.39Å; F359-N460 CarbonylContact C-O 3.59Å; F359-N460 WeakPolarHBondContact CA-O 3.49Å; F359-N460 VanDerWaalsContact CB-O 3.27Å; F359-N460 WeakPolarHBondContact CB-O 3.33Å; F359-N460 WeakPolarHBondContact CD1-O 3.06Å; F359-L462 HydrophobicContact CB-CD1 4.38Å; F359-L462 HydrophobicContact CB-CG 4.23Å; F359-L462 HydrophobicContact CD1-CD1 4.13Å; F359-L462 HydrophobicContact CD1-CD2 3.87Å; F359-L462 HydrophobicContact CD1-CG 3.95Å; F359-L462 HydrophobicContact CD2-CD1 4.29Å; F359-L462 HydrophobicContact CE1-CD2 4.15Å; F359-L462 HydrophobicContact CG-CD1 4.01Å; F359-L462 HydrophobicContact CG-CG 4.11Å
360	L	96.9	Very high	91.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.2	179.5	-78.1	154.3	0	0	0	108.5	F408 L410 F444 L448 L457 V458 D459 N460	L360-F408 HydrophobicContact CD2-CB 3.66Å; L360-F408 HydrophobicContact CD2-CD1 3.84Å; L360-F408 HydrophobicContact CD2-CG 4.01Å; L360-F408 HydrophobicContact CG-CB 4.19Å; L360-L410 HydrophobicContact CD1-CD2 3.94Å; L360-L410 HydrophobicContact CD2-CD2 4.46Å; L360-L410 HydrophobicContact CG-CD2 4.03Å; L360-F444 HydrophobicContact CD1-CB 4.28Å; L360-F444 HydrophobicContact CD2-CB 3.95Å; L360-L448 HydrophobicContact CD1-CB 4.46Å; L360-L448 HydrophobicContact CD1-CD2 3.82Å; L360-L457 HydrophobicContact CB-CD1 3.93Å; L360-L457 HydrophobicContact CD1-CD1 4.38Å; L360-V458 PolarHBondContact N-O 3.47Å; L360-D459 CarbonylContact O-C 3.55Å; L360-D459 WeakPolarHBondContact O-CA 3.32Å; L360-N460 PolarHBondContact O-N 3.08Å; L360-N460 VanDerWaalsContact O-N 3.17Å
361	K	95.3	Very high	91.9	Very high	64 Å²	64	54.8 Å²	54.8	28%	0.278	28%	0.277	S	S	.	.			trans	-109	120.9	175.9	-173.1	68	-152.9	149.6	0	110.4	G404 S405 H445 D459 N461	K361-G404 CarbonylContact O-C 3.6Å; K361-G404 VanDerWaalsContact O-CA 3.3Å; K361-G404 WeakPolarHBondContact O-CA 3.46Å; K361-S405 PolarHBondContact O-N 2.72Å; K361-H445 PolarHBondContact O-NE2 3.01Å; K361-D459 WeakPolarHBondContact CD-O 3.3Å; K361-D459 WeakPolarHBondContact CD-OD1 3.46Å; K361-D459 WeakPolarHBondContact CE-OD1 3.21Å; K361-D459 PolarHBondContact NZ-O 2.78Å; K361-D459 IonicContact NZ-OD1 2.75Å; K361-D459 PolarHBondContact NZ-OD1 2.84Å; K361-D459 IonicContact NZ-OD2 3.09Å; K361-D459 PolarHBondContact NZ-OD2 3.39Å; K361-N461 HydrophobicContact CB-CB 3.75Å
362	S	92	Very high	91.8	Very high	23 Å²	23	61.7 Å²	61.7	16%	0.161	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-86.9	158.6	176.6	-64	0	0	0	0	111.9	G364 G403 D459	S362-G364 PolarHBondContact O-N 2.92Å; S362-G403 CarbonylContact C-O 3.46Å; S362-G403 WeakPolarHBondContact CA-O 3.43Å; S362-D459 WeakPolarHBondContact CB-OD1 3.42Å; S362-D459 PolarHBondContact N-OD1 2.77Å
363	H	87.5	Confident	91.7	Very high	45 Å²	45	67.4 Å²	67.4	21%	0.208	33%	0.329	C	S	.	.			trans	-70.4	-12.3	-172.2	67.8	79	0	0	0	114.8	R365 F370 G403	H363-R365 PolarHBondContact CE1-O 2.68Å; H363-R365 PolarHBondContact ND1-N 2.94Å; H363-R365 WeakPolarHBondContact O-CG 3.34Å; H363-R365 PolarHBondContact O-N 2.96Å; H363-F370 HydrophobicContact CB-CD2 3.81Å; H363-F370 HydrophobicContact CB-CE2 4.15Å; H363-F370 HydrophobicContact CB-CG 4.42Å; H363-F370 AromaticContact CD2-CD1 3.51Å; H363-F370 AromaticContact CD2-CD2 3.46Å; H363-F370 VanDerWaalsContact CD2-CD2 3.46Å; H363-F370 WeakPolarHBondContact CD2-CD2 3.3Å; H363-F370 AromaticContact CD2-CE2 3.97Å; H363-F370 AromaticContact CD2-CG 3.2Å; H363-F370 WeakPolarHBondContact CD2-CG 3.24Å; H363-F370 AromaticContact CG-CD2 3.66Å; H363-F370 AromaticContact CG-CG 3.76Å; H363-F370 VanDerWaalsContact NE2-CB 3.34Å; H363-F370 WeakPolarHBondContact NE2-CB 3.12Å; H363-F370 AromaticContact NE2-CD1 3.7Å; H363-F370 AromaticContact NE2-CG 3.49Å; H363-F370 WeakPolarHBondContact NE2-CG 3.3Å; H363-G403 PolarHBondContact CD2-O 3.15Å; H363-G403 PolarHBondContact N-O 2.76Å
364	G	77.4	Confident	91.9	Very high	68 Å²	68	64.4 Å²	64.4	70%	0.701	31%	0.314	S	S	*	.			trans	59.2	35.6	170.9	0	0	0	0	0	115.3	S362	S362-G364 PolarHBondContact O-N 2.92Å
365	R	74.3	Confident	92	Very high	181 Å²	181	62 Å²	62	68%	0.683	30%	0.302	S	S	*	.	S	Bend	trans	-143.8	-175.5	-174.9	-66.4	176.8	-177.3	-147.1	-7.9	110.4	H363 N367	H363-R365 PolarHBondContact CE1-O 2.68Å; H363-R365 PolarHBondContact ND1-N 2.94Å; H363-R365 WeakPolarHBondContact O-CG 3.34Å; H363-R365 PolarHBondContact O-N 2.96Å; R365-N367 PolarHBondContact O-N 2.61Å
366	E	84.3	Confident	92.1	Very high	107 Å²	107	58.5 Å²	58.5	50%	0.5	29%	0.289	S	S	.	.			trans	-57.5	120.7	168.6	177.6	-176.8	-141	0	0	112	R369 F370	E366-R369 HydrophobicContact CB-CB 4.2Å; E366-R369 HydrophobicContact CG-CB 4.18Å; E366-R369 WeakPolarHBondContact O-CB 3.3Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-R369 WeakPolarHBondContact OE2-CB 3.42Å; E366-R369 IonicContact OE2-CZ 3.76Å; E366-R369 IonicContact OE2-NE 2.84Å; E366-R369 PolarHBondContact OE2-NE 3.48Å; E366-R369 IonicContact OE2-NH2 3.56Å; E366-R369 PolarHBondContact OE2-NH2 3.46Å; E366-F370 PolarHBondContact O-N 2.98Å
367	N	87.4	Confident	92.1	Very high	54 Å²	54	55.5 Å²	55.5	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-66	-42.7	-173.2	-168.5	5.2	0	0	0	113.4	R365 R369 F370 I371 V401	R365-N367 PolarHBondContact O-N 2.61Å; N367-R369 PolarHBondContact O-N 3.21Å; N367-F370 WeakPolarHBondContact O-CA 3.3Å; N367-F370 WeakPolarHBondContact O-CB 3.38Å; N367-F370 PolarHBondContact O-N 2.76Å; N367-I371 PolarHBondContact O-N 2.72Å; N367-V401 PolarHBondContact ND2-O 2.88Å; N367-V401 PolarHBondContact OD1-O 2.71Å
368	A	90.4	Very high	92.2	Very high	62 Å²	62	56.6 Å²	56.6	51%	0.512	28%	0.277	S	S	.	.	H	α-helix	trans	-56.8	-28.8	175.5	0	0	0	0	0	113.2	K372	A368-K372 PolarHBondContact O-N 3.24Å
369	R	92.3	Very high	92.2	Very high	151 Å²	151	56.7 Å²	56.7	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-81.4	-23.7	175.2	-162.2	-171.8	-56.1	-151.2	2.1	112.9	E366 N367 K373	E366-R369 HydrophobicContact CB-CB 4.2Å; E366-R369 HydrophobicContact CG-CB 4.18Å; E366-R369 WeakPolarHBondContact O-CB 3.3Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-R369 WeakPolarHBondContact OE2-CB 3.42Å; E366-R369 IonicContact OE2-CZ 3.76Å; E366-R369 IonicContact OE2-NE 2.84Å; E366-R369 PolarHBondContact OE2-NE 3.48Å; E366-R369 IonicContact OE2-NH2 3.56Å; E366-R369 PolarHBondContact OE2-NH2 3.46Å; N367-R369 PolarHBondContact O-N 3.21Å; R369-K373 WeakPolarHBondContact O-CB 3.42Å; R369-K373 VanDerWaalsContact O-CG 3.25Å; R369-K373 WeakPolarHBondContact O-CG 3.33Å
370	F	93.3	Very high	92.2	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-73	-54.3	170.7	171.6	-106.4	0	0	0	110.4	H363 E366 N367 K372 K373 Q374 L376 G403	H363-F370 HydrophobicContact CB-CD2 3.81Å; H363-F370 HydrophobicContact CB-CE2 4.15Å; H363-F370 HydrophobicContact CB-CG 4.42Å; H363-F370 AromaticContact CD2-CD1 3.51Å; H363-F370 AromaticContact CD2-CD2 3.46Å; H363-F370 VanDerWaalsContact CD2-CD2 3.46Å; H363-F370 WeakPolarHBondContact CD2-CD2 3.3Å; H363-F370 AromaticContact CD2-CE2 3.97Å; H363-F370 AromaticContact CD2-CG 3.2Å; H363-F370 WeakPolarHBondContact CD2-CG 3.24Å; H363-F370 AromaticContact CG-CD2 3.66Å; H363-F370 AromaticContact CG-CG 3.76Å; H363-F370 VanDerWaalsContact NE2-CB 3.34Å; H363-F370 WeakPolarHBondContact NE2-CB 3.12Å; H363-F370 AromaticContact NE2-CD1 3.7Å; H363-F370 AromaticContact NE2-CG 3.49Å; H363-F370 WeakPolarHBondContact NE2-CG 3.3Å; E366-F370 PolarHBondContact O-N 2.98Å; N367-F370 WeakPolarHBondContact O-CA 3.3Å; N367-F370 WeakPolarHBondContact O-CB 3.38Å; N367-F370 PolarHBondContact O-N 2.76Å; F370-K372 VanDerWaalsContact C-N 3.33Å; F370-K372 PolarHBondContact O-N 2.96Å; F370-K373 PolarHBondContact O-N 3.3Å; F370-Q374 HydrophobicContact CD1-CG 4.35Å; F370-Q374 HydrophobicContact CD2-CG 3.67Å; F370-Q374 HydrophobicContact CE1-CG 4.05Å; F370-Q374 HydrophobicContact CE2-CG 3.32Å; F370-Q374 HydrophobicContact CG-CG 4.17Å; F370-Q374 HydrophobicContact CZ-CG 3.53Å; F370-Q374 WeakPolarHBondContact O-CG 3.34Å; F370-Q374 PolarHBondContact O-N 2.87Å; F370-L376 HydrophobicContact CE1-CD1 4.09Å; F370-G403 VanDerWaalsContact CZ-CA 3.49Å
371	I	94.7	Very high	92.3	Very high	28 Å²	28	57.8 Å²	57.8	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-45.9	-54.6	177.9	-68.8	168.2	0	0	0	111.4	N367 K373 Q374 G375 L376 D377 I395 V401	N367-I371 PolarHBondContact O-N 2.72Å; I371-K373 VanDerWaalsContact C-N 3.31Å; I371-K373 PolarHBondContact O-N 2.99Å; I371-Q374 PolarHBondContact O-N 3.41Å; I371-G375 PolarHBondContact O-N 3.23Å; I371-G375 VanDerWaalsContact O-N 3.1Å; I371-L376 HydrophobicContact CG2-CB 4.17Å; I371-L376 PolarHBondContact O-N 2.96Å; I371-D377 HydrophobicContact CG2-CB 4.34Å; I371-I395 HydrophobicContact CG2-CD1 4.11Å; I371-I395 HydrophobicContact CG2-CG1 4.26Å; I371-V401 HydrophobicContact CD1-CB 4.29Å; I371-V401 HydrophobicContact CD1-CG1 4.4Å; I371-V401 HydrophobicContact CG1-CB 4.49Å; I371-V401 HydrophobicContact CG1-CG1 4.06Å
372	K	95.1	Very high	92.4	Very high	145 Å²	145	56.8 Å²	56.8	63%	0.63	28%	0.279	S	S	*	.	H	α-helix	trans	-68.4	-19.2	179.8	-70.1	-169.1	174	-166.3	0	115.4	A368 F370	A368-K372 PolarHBondContact O-N 3.24Å; F370-K372 VanDerWaalsContact C-N 3.33Å; F370-K372 PolarHBondContact O-N 2.96Å
373	K	94.2	Very high	92.7	Very high	141 Å²	141	56.2 Å²	56.2	61%	0.613	28%	0.275	S	S	*	.	H	α-helix	trans	-93	-29.1	178.8	-77	-169.3	175.7	-146	0	113.3	R369 F370 I371 G375 W483	R369-K373 WeakPolarHBondContact O-CB 3.42Å; R369-K373 VanDerWaalsContact O-CG 3.25Å; R369-K373 WeakPolarHBondContact O-CG 3.33Å; F370-K373 PolarHBondContact O-N 3.3Å; I371-K373 VanDerWaalsContact C-N 3.31Å; I371-K373 PolarHBondContact O-N 2.99Å; K373-G375 VanDerWaalsContact C-N 3.28Å; K373-W483 PolarHBondContact O-NE1 3.22Å
374	Q	95.5	Very high	93	Very high	28 Å²	28	57.2 Å²	57.2	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-15.6	168.6	-59.4	-54	111.7	0	0	112.4	F370 I371 L376 E441	F370-Q374 HydrophobicContact CD1-CG 4.35Å; F370-Q374 HydrophobicContact CD2-CG 3.67Å; F370-Q374 HydrophobicContact CE1-CG 4.05Å; F370-Q374 HydrophobicContact CE2-CG 3.32Å; F370-Q374 HydrophobicContact CG-CG 4.17Å; F370-Q374 HydrophobicContact CZ-CG 3.53Å; F370-Q374 WeakPolarHBondContact O-CG 3.34Å; F370-Q374 PolarHBondContact O-N 2.87Å; I371-Q374 PolarHBondContact O-N 3.41Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 HydrophobicContact CB-CD1 4.19Å; Q374-L376 HydrophobicContact CB-CG 3.86Å; Q374-E441 PolarHBondContact NE2-OE2 3.05Å
375	G	97	Very high	93.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	30.8	-173.2	0	0	0	0	0	112.4	I371 K373 D377 R378	I371-G375 PolarHBondContact O-N 3.23Å; I371-G375 VanDerWaalsContact O-N 3.1Å; K373-G375 VanDerWaalsContact C-N 3.28Å; G375-D377 PolarHBondContact O-N 2.77Å; G375-R378 VanDerWaalsContact O-CB 3.3Å; G375-R378 WeakPolarHBondContact O-CB 3.32Å; G375-R378 PolarHBondContact O-N 3.15Å
376	L	97.3	Very high	95	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24	178.7	-70.4	172.1	0	0	0	112	F370 I371 Q374 R378 R393 I395 V401 Y433	F370-L376 HydrophobicContact CE1-CD1 4.09Å; I371-L376 HydrophobicContact CG2-CB 4.17Å; I371-L376 PolarHBondContact O-N 2.96Å; Q374-L376 VanDerWaalsContact C-N 3.34Å; Q374-L376 HydrophobicContact CB-CD1 4.19Å; Q374-L376 HydrophobicContact CB-CG 3.86Å; L376-R378 PolarHBondContact O-N 2.7Å; L376-R393 PolarHBondContact O-NE 3.2Å; L376-R393 PolarHBondContact O-NH2 2.86Å; L376-I395 HydrophobicContact CB-CD1 4.31Å; L376-V401 HydrophobicContact CD1-CG1 3.79Å; L376-Y433 HydrophobicContact CD2-CE1 3.82Å
377	D	96.9	Very high	95.7	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.123	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	6.9	168.2	67.2	-49.1	0	0	0	113.8	I371 G375 E392 R393	I371-D377 HydrophobicContact CG2-CB 4.34Å; G375-D377 PolarHBondContact O-N 2.77Å; D377-E392 WeakPolarHBondContact O-CA 3.38Å; D377-R393 PolarHBondContact O-N 2.99Å
378	R	98.1	Very high	96.2	Very high	52 Å²	52	43.9 Å²	43.9	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.9	178.5	-48.9	-69.1	146.5	178.1	-24	110.4	G375 L376 F380 R389 G391 E392 R393 W483	G375-R378 VanDerWaalsContact O-CB 3.3Å; G375-R378 WeakPolarHBondContact O-CB 3.32Å; G375-R378 PolarHBondContact O-N 3.15Å; L376-R378 PolarHBondContact O-N 2.7Å; R378-F380 HydrophobicContact CB-CD2 4.08Å; R378-F380 HydrophobicContact CB-CE2 3.6Å; R378-F380 HydrophobicContact CB-CZ 4.26Å; R378-F380 HydrophobicContact CG-CE2 4.39Å; R378-R389 HydrophobicContact CB-CG 4.47Å; R378-G391 CarbonylContact C-O 3.59Å; R378-G391 VanDerWaalsContact CA-O 3.3Å; R378-G391 WeakPolarHBondContact CA-O 3.15Å; R378-E392 IonicContact CZ-OE1 3.81Å; R378-E392 IonicContact NH1-OE1 2.72Å; R378-E392 PolarHBondContact NH1-OE1 2.64Å; R378-E392 IonicContact NH2-OE1 3.18Å; R378-E392 PolarHBondContact NH2-OE1 2.78Å; R378-R393 PolarHBondContact O-NE 2.87Å; R378-W483 HydrophobicContact CG-CH2 4.18Å; R378-W483 HydrophobicContact CG-CZ3 4.11Å
379	L	98.3	Very high	96.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.4	171.1	-171.7	71.8	0	0	0	109.3	I194 H198 L203 M204 L390 G391 Y435	I194-L379 HydrophobicContact CG2-CD2 4.14Å; H198-L379 HydrophobicContact CB-CD2 3.89Å; L203-L379 HydrophobicContact CD2-CD1 3.82Å; L203-L379 HydrophobicContact CD2-CD2 3.95Å; M204-L379 HydrophobicContact CE-CD1 4.04Å; M204-L379 HydrophobicContact SD-CD1 4.24Å; L379-L390 HydrophobicContact CB-CB 4.45Å; L379-L390 HydrophobicContact CD2-CB 4.19Å; L379-L390 HydrophobicContact CD2-CD1 4.45Å; L379-L390 HydrophobicContact CG-CB 4.4Å; L379-L390 PolarHBondContact O-N 2.85Å; L379-G391 PolarHBondContact N-O 3.27Å; L379-Y435 HydrophobicContact CD1-CG 4.29Å
380	F	98.6	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.8	177.6	-73.4	-86.7	0	0	0	111.8	R378 M387 W388 R389 Y435 L437 W483	R378-F380 HydrophobicContact CB-CD2 4.08Å; R378-F380 HydrophobicContact CB-CE2 3.6Å; R378-F380 HydrophobicContact CB-CZ 4.26Å; R378-F380 HydrophobicContact CG-CE2 4.39Å; F380-M387 HydrophobicContact CB-CE 3.98Å; F380-M387 HydrophobicContact CB-CG 4.23Å; F380-M387 HydrophobicContact CB-SD 4.11Å; F380-M387 HydrophobicContact CD1-CG 3.75Å; F380-M387 HydrophobicContact CE1-CG 4.44Å; F380-M387 HydrophobicContact CG-CG 4.26Å; F380-W388 CarbonylContact C-O 3.49Å; F380-W388 WeakPolarHBondContact CA-O 3.03Å; F380-W388 WeakPolarHBondContact CD1-O 3.05Å; F380-R389 HydrophobicContact CD1-CB 4.03Å; F380-R389 HydrophobicContact CD1-CG 4.39Å; F380-R389 HydrophobicContact CE1-CB 3.69Å; F380-R389 HydrophobicContact CE1-CG 3.9Å; F380-R389 HydrophobicContact CZ-CB 4.39Å; F380-R389 HydrophobicContact CZ-CG 4.12Å; F380-Y435 PolarHBondContact N-O 3.01Å; F380-Y435 CarbonylContact O-C 3.52Å; F380-Y435 VanDerWaalsContact O-C 3.31Å; F380-Y435 WeakPolarHBondContact O-CA 3.37Å; F380-Y435 VanDerWaalsContact O-CB 3.31Å; F380-Y435 WeakPolarHBondContact O-CB 3.39Å; F380-L437 HydrophobicContact CD1-CB 4.37Å; F380-L437 HydrophobicContact CD2-CB 3.58Å; F380-L437 HydrophobicContact CE1-CB 4.32Å; F380-L437 HydrophobicContact CE1-CD2 4.41Å; F380-L437 HydrophobicContact CE2-CB 3.48Å; F380-L437 VanDerWaalsContact CE2-CB 3.48Å; F380-L437 HydrophobicContact CE2-CD2 4.12Å; F380-L437 HydrophobicContact CE2-CG 4.42Å; F380-L437 HydrophobicContact CG-CB 4.03Å; F380-L437 HydrophobicContact CZ-CB 3.88Å; F380-L437 HydrophobicContact CZ-CD2 3.82Å; F380-L437 HydrophobicContact CZ-CG 4.4Å; F380-W483 HydrophobicContact CZ-CB 4.48Å; F380-W483 HydrophobicContact CZ-CD2 4.28Å; F380-W483 AromaticContact CZ-CE3 3.95Å; F380-W483 HydrophobicContact CZ-CE3 3.95Å
381	H	98.2	Very high	97.1	Very high	24 Å²	24	35.9 Å²	35.9	11%	0.111	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	170.9	-178	46.6	0	0	0	112.2	E190 I194 C383 M387 W388 L390	E190-H381 IonicContact OE2-CD2 2.8Å; E190-H381 IonicContact OE2-CE1 2.68Å; E190-H381 IonicContact OE2-NE2 3.11Å; E190-H381 PolarHBondContact OE2-NE2 2.83Å; I194-H381 HydrophobicContact CD1-CB 3.98Å; I194-H381 VanDerWaalsContact CD1-CD2 3.49Å; I194-H381 WeakPolarHBondContact CD1-CD2 3.32Å; I194-H381 WeakPolarHBondContact CD1-ND1 3.44Å; H381-C383 VanDerWaalsContact CD2-SG 3.5Å; H381-M387 VanDerWaalsContact O-CE 3.23Å; H381-M387 WeakPolarHBondContact O-CE 3.42Å; H381-W388 PolarHBondContact N-O 3.24Å; H381-W388 PolarHBondContact O-N 3.14Å; H381-L390 HydrophobicContact CB-CD1 3.75Å; H381-L390 HydrophobicContact CB-CG 4.4Å
382	E	98.3	Very high	97.2	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.201	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.4	-179.4	-166.5	175.4	154.6	0	0	111.2	I303 G306 A307 S308 H386 M387	I303-E382 HydrophobicContact CD1-CG 3.97Å; G306-E382 VanDerWaalsContact C-OE2 3.29Å; G306-E382 VanDerWaalsContact CA-OE2 3.29Å; G306-E382 WeakPolarHBondContact CA-OE2 3.42Å; A307-E382 WeakPolarHBondContact CA-OE2 3.19Å; A307-E382 PolarHBondContact N-OE2 3.42Å; S308-E382 WeakPolarHBondContact CB-OE1 3.49Å; S308-E382 PolarHBondContact N-OE2 3.45Å; S308-E382 VanDerWaalsContact OG-CD 3.3Å; S308-E382 PolarHBondContact OG-OE1 2.96Å; S308-E382 PolarHBondContact OG-OE2 2.93Å; E382-H386 WeakPolarHBondContact CA-O 3.23Å; E382-M387 HydrophobicContact CB-CE 3.63Å; E382-M387 HydrophobicContact CG-CE 4.43Å
383	C	97.4	Very high	97.2	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.081	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.4	170	58.4	0	0	0	0	110.8	C187 E190 H381 N385 H386 W388	C187-C383 WeakPolarHBondContact CA-SG 3.44Å; C187-C383 HydrophobicContact CB-CB 3.64Å; C187-C383 WeakPolarHBondContact CB-SG 3.48Å; C187-C383 VanDerWaalsContact SG-C 3.57Å; C187-C383 WeakPolarHBondContact SG-CB 3.47Å; C187-C383 CovalentContact SG-SG 2.04Å; C187-C383 PolarHBondContact SG-SG 3Å; E190-C383 WeakPolarHBondContact OE2-CB 3.26Å; H381-C383 VanDerWaalsContact CD2-SG 3.5Å; C383-N385 PolarHBondContact O-N 3.45Å; C383-N385 VanDerWaalsContact O-N 3.09Å; C383-H386 PolarHBondContact N-O 2.71Å; C383-H386 PolarHBondContact O-N 2.93Å; C383-H386 VanDerWaalsContact O-O 3.13Å; C383-W388 PolarHBondContact O-NE1 3.26Å
384	D	95.3	Very high	97.3	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	22.2	-171.7	-65.1	-5.9	0	0	0	115.3	G183 S184 C187 H386	G183-D384 PolarHBondContact N-OD2 3.45Å; G183-D384 VanDerWaalsContact N-OD2 3.11Å; S184-D384 WeakPolarHBondContact CB-OD1 3.33Å; S184-D384 PolarHBondContact N-OD2 3.07Å; S184-D384 VanDerWaalsContact OG-CG 3.31Å; S184-D384 PolarHBondContact OG-OD1 3.21Å; S184-D384 PolarHBondContact OG-OD2 3.13Å; C187-D384 HydrophobicContact CB-CB 4.4Å; C187-D384 VanDerWaalsContact CB-CG 3.44Å; C187-D384 WeakPolarHBondContact CB-OD1 3.31Å; C187-D384 WeakPolarHBondContact CB-OD2 3.48Å; D384-H386 VanDerWaalsContact C-N 3.3Å
385	N	95.3	Very high	97.3	Very high	89 Å²	89	32.9 Å²	32.9	48%	0.476	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	27.4	-171.9	-36	-82.2	0	0	0	114.2	V301 I303 C383	V301-N385 HydrophobicContact CG1-CB 4.27Å; V301-N385 WeakPolarHBondContact CG1-OD1 3.27Å; I303-N385 HydrophobicContact CG2-CB 4.15Å; C383-N385 PolarHBondContact O-N 3.45Å; C383-N385 VanDerWaalsContact O-N 3.09Å
386	H	97.9	Very high	97.2	Very high	29 Å²	29	33.1 Å²	33.1	13%	0.134	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.9	174.9	-169.4	95.7	0	0	0	110.8	E382 C383 D384 W388 K478 H479 I480 V481	E382-H386 WeakPolarHBondContact CA-O 3.23Å; C383-H386 PolarHBondContact N-O 2.71Å; C383-H386 PolarHBondContact O-N 2.93Å; C383-H386 VanDerWaalsContact O-O 3.13Å; D384-H386 VanDerWaalsContact C-N 3.3Å; H386-W388 HydrophobicContact CB-CH2 4.43Å; H386-W388 HydrophobicContact CB-CZ2 3.77Å; H386-W388 AromaticContact CD2-CD2 3.57Å; H386-W388 AromaticContact CD2-CE2 3.73Å; H386-W388 AromaticContact CD2-CE3 3.62Å; H386-W388 AromaticContact CD2-CZ2 3.98Å; H386-W388 AromaticContact CD2-CZ3 3.84Å; H386-W388 AromaticContact CG-CZ2 4Å; H386-K478 PolarHBondContact NE2-O 3.13Å; H386-H479 PolarHBondContact CE1-O 2.95Å; H386-H479 PolarHBondContact ND1-O 3.32Å; H386-H479 VanDerWaalsContact ND1-O 3.15Å; H386-H479 PolarHBondContact NE2-O 3.11Å; H386-I480 WeakPolarHBondContact CA-O 3.38Å; H386-I480 WeakPolarHBondContact CE1-CA 3.31Å; H386-I480 PolarHBondContact CE1-N 2.84Å; H386-I480 PolarHBondContact CE1-O 3.19Å; H386-I480 VanDerWaalsContact ND1-C 3.32Å; H386-I480 PolarHBondContact ND1-O 2.99Å; H386-V481 PolarHBondContact NE2-N 2.86Å
387	M	98.2	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	92.9	176.8	-177.9	98.7	-74.5	0	0	110.2	I303 F380 H381 E382 L437 I480 V481 D482	I303-M387 HydrophobicContact CD1-CB 4.29Å; F380-M387 HydrophobicContact CB-CE 3.98Å; F380-M387 HydrophobicContact CB-CG 4.23Å; F380-M387 HydrophobicContact CB-SD 4.11Å; F380-M387 HydrophobicContact CD1-CG 3.75Å; F380-M387 HydrophobicContact CE1-CG 4.44Å; F380-M387 HydrophobicContact CG-CG 4.26Å; H381-M387 VanDerWaalsContact O-CE 3.23Å; H381-M387 WeakPolarHBondContact O-CE 3.42Å; E382-M387 HydrophobicContact CB-CE 3.63Å; E382-M387 HydrophobicContact CG-CE 4.43Å; M387-L437 HydrophobicContact CG-CD1 3.91Å; M387-L437 HydrophobicContact SD-CD1 4.26Å; M387-I480 PolarHBondContact N-O 3Å; M387-V481 HydrophobicContact CB-CB 3.9Å; M387-V481 HydrophobicContact CB-CG1 3.64Å; M387-V481 HydrophobicContact CG-CB 4.49Å; M387-V481 HydrophobicContact CG-CG1 4.39Å; M387-D482 PolarHBondContact O-N 3.03Å
388	W	98.4	Very high	96.7	Very high	12 Å²	12	41.6 Å²	41.6	5%	0.045	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.3	-176	-56	98.1	0	0	0	111.6	A178 R181 A182 C187 I191 F380 H381 C383 H386 L390 D482	A178-W388 HydrophobicContact CB-CB 4.14Å; A178-W388 HydrophobicContact CB-CD2 4.35Å; A178-W388 HydrophobicContact CB-CE3 3.87Å; R181-W388 HydrophobicContact CB-CH2 3.91Å; R181-W388 HydrophobicContact CB-CZ3 3.56Å; A182-W388 HydrophobicContact CB-CH2 4.17Å; A182-W388 HydrophobicContact CB-CZ2 3.92Å; C187-W388 PolarHBondContact SG-NE1 3.2Å; I191-W388 HydrophobicContact CD1-CD2 4.28Å; I191-W388 HydrophobicContact CD1-CG 4.05Å; F380-W388 CarbonylContact C-O 3.49Å; F380-W388 WeakPolarHBondContact CA-O 3.03Å; F380-W388 WeakPolarHBondContact CD1-O 3.05Å; H381-W388 PolarHBondContact N-O 3.24Å; H381-W388 PolarHBondContact O-N 3.14Å; C383-W388 PolarHBondContact O-NE1 3.26Å; H386-W388 HydrophobicContact CB-CH2 4.43Å; H386-W388 HydrophobicContact CB-CZ2 3.77Å; H386-W388 AromaticContact CD2-CD2 3.57Å; H386-W388 AromaticContact CD2-CE2 3.73Å; H386-W388 AromaticContact CD2-CE3 3.62Å; H386-W388 AromaticContact CD2-CZ2 3.98Å; H386-W388 AromaticContact CD2-CZ3 3.84Å; H386-W388 AromaticContact CG-CZ2 4Å; W388-L390 HydrophobicContact CB-CD2 3.85Å; W388-D482 WeakPolarHBondContact CA-OD2 3.13Å
389	R	98.5	Very high	96.3	Very high	37 Å²	37	40 Å²	40	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.1	170.1	-167.1	177.2	79.5	-144.2	6.1	108.9	P150 D174 R378 F380 D482	P150-R389 PolarHBondContact O-NH1 2.78Å; P150-R389 PolarHBondContact O-NH2 3.41Å; D174-R389 CarbonylContact C-O 3.59Å; D174-R389 VanDerWaalsContact CG-NE 3.29Å; D174-R389 IonicContact OD1-CZ 3.51Å; D174-R389 IonicContact OD1-NE 3.07Å; D174-R389 PolarHBondContact OD1-NE 2.98Å; D174-R389 IonicContact OD1-NH2 3.33Å; D174-R389 PolarHBondContact OD1-NH2 3.07Å; D174-R389 IonicContact OD2-CZ 2.82Å; D174-R389 IonicContact OD2-NE 2.76Å; D174-R389 PolarHBondContact OD2-NE 3.03Å; D174-R389 IonicContact OD2-NH2 3.61Å; R378-R389 HydrophobicContact CB-CG 4.47Å; F380-R389 HydrophobicContact CD1-CB 4.03Å; F380-R389 HydrophobicContact CD1-CG 4.39Å; F380-R389 HydrophobicContact CE1-CB 3.69Å; F380-R389 HydrophobicContact CE1-CG 3.9Å; F380-R389 HydrophobicContact CZ-CB 4.39Å; F380-R389 HydrophobicContact CZ-CG 4.12Å; R389-D482 HydrophobicContact CB-CB 3.53Å; R389-D482 PolarHBondContact N-OD2 2.56Å; R389-D482 PolarHBondContact NH1-O 2.72Å
390	L	98.3	Very high	95.9	Very high	8 Å²	8	44 Å²	44	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-22.2	-171.8	-55.2	-169.3	0	0	0	113.8	A175 A178 I191 I194 V195 L379 H381 W388	A175-L390 PolarHBondContact N-O 2.94Å; A178-L390 HydrophobicContact CB-CD2 3.89Å; I191-L390 HydrophobicContact CG1-CD2 4.2Å; I191-L390 HydrophobicContact CG2-CD2 3.79Å; I194-L390 HydrophobicContact CB-CD1 4.33Å; I194-L390 HydrophobicContact CG2-CD1 3.77Å; V195-L390 HydrophobicContact CG2-CB 4.08Å; V195-L390 HydrophobicContact CG2-CD1 4.11Å; L379-L390 HydrophobicContact CB-CB 4.45Å; L379-L390 HydrophobicContact CD2-CB 4.19Å; L379-L390 HydrophobicContact CD2-CD1 4.45Å; L379-L390 HydrophobicContact CG-CB 4.4Å; L379-L390 PolarHBondContact O-N 2.85Å; H381-L390 HydrophobicContact CB-CD1 3.75Å; H381-L390 HydrophobicContact CB-CG 4.4Å; W388-L390 HydrophobicContact CB-CD2 3.85Å
391	G	97.2	Very high	95.6	Very high	16 Å²	16	44.1 Å²	44.1	17%	0.165	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-160.3	176.9	0	0	0	0	0	113.3	R378 L379	R378-G391 CarbonylContact C-O 3.59Å; R378-G391 VanDerWaalsContact CA-O 3.3Å; R378-G391 WeakPolarHBondContact CA-O 3.15Å; L379-G391 PolarHBondContact N-O 3.27Å
392	E	96.7	Very high	95.2	Very high	128 Å²	128	44.5 Å²	44.5	60%	0.598	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	155.7	177.4	-49.1	-155.2	136.3	0	0	112.2	H198 D377 R378	H198-E392 PolarHBondContact NE2-O 2.96Å; D377-E392 WeakPolarHBondContact O-CA 3.38Å; R378-E392 IonicContact CZ-OE1 3.81Å; R378-E392 IonicContact NH1-OE1 2.72Å; R378-E392 PolarHBondContact NH1-OE1 2.64Å; R378-E392 IonicContact NH2-OE1 3.18Å; R378-E392 PolarHBondContact NH2-OE1 2.78Å
393	R	96	Very high	95.1	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.06	23%	0.234	C	C	.	.			trans	-146.2	153.8	168.3	65.4	177.9	-178.2	177.2	-2.2	111.4	M204 L376 D377 R378 F432 Y435	M204-R393 PolarHBondContact SD-NH1 3.17Å; L376-R393 PolarHBondContact O-NE 3.2Å; L376-R393 PolarHBondContact O-NH2 2.86Å; D377-R393 PolarHBondContact O-N 2.99Å; R378-R393 PolarHBondContact O-NE 2.87Å; R393-F432 VanDerWaalsContact CZ-CE2 3.45Å; R393-F432 VanDerWaalsContact CZ-CZ 3.42Å; R393-F432 PolarHBondContact NH1-O 2.76Å; R393-F432 VanDerWaalsContact NH2-CZ 3.29Å; R393-Y435 PolarHBondContact NH1-O 2.89Å
394	S	95.3	Very high	95	Very high	83 Å²	83	42.7 Å²	42.7	58%	0.58	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-69.2	158.1	168.5	43.5	0	0	0	0	111.8
395	I	95.8	Very high	95.1	Very high	51 Å²	51	40.4 Å²	40.4	26%	0.262	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-85.7	135.7	159.2	-57.9	-55.4	0	0	0	107	I371 L376 L399 V401 F432	I371-I395 HydrophobicContact CG2-CD1 4.11Å; I371-I395 HydrophobicContact CG2-CG1 4.26Å; L376-I395 HydrophobicContact CB-CD1 4.31Å; I395-L399 HydrophobicContact CG2-CD2 4.49Å; I395-V401 HydrophobicContact CG2-CG2 3.48Å; I395-V401 VanDerWaalsContact CG2-CG2 3.48Å; I395-F432 HydrophobicContact CD1-CZ 3.96Å
396	P	95.7	Very high	95.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-60.1	141.7	-178.3	-23.5	33.4	0	0	0	112.7	P205 E206 L208 L399 F432	P205-P396 HydrophobicContact CG-CG 4.08Å; P205-P396 WeakPolarHBondContact O-CB 3.36Å; P205-P396 WeakPolarHBondContact O-CG 3.35Å; E206-P396 CarbonylContact O-C 3.55Å; E206-P396 WeakPolarHBondContact O-CA 3.45Å; L208-P396 HydrophobicContact CD1-CB 4.04Å; L208-P396 HydrophobicContact CD1-CG 4Å; L208-P396 HydrophobicContact CG-CB 3.93Å; L208-P396 HydrophobicContact CG-CG 4.36Å; P396-L399 HydrophobicContact CB-CB 4.45Å; P396-L399 HydrophobicContact CG-CD2 4.34Å; P396-L399 WeakPolarHBondContact O-CB 3.31Å; P396-L399 PolarHBondContact O-N 3.28Å; P396-F432 HydrophobicContact CG-CD2 4.09Å; P396-F432 HydrophobicContact CG-CE2 4.31Å
397	E	94.6	Very high	95.3	Very high	152 Å²	152	36.6 Å²	36.6	71%	0.71	21%	0.208	S	C	*	.	B	Isolated β-bridge	trans	-62.2	146.1	174.2	-64.2	-163.5	165.1	0	0	111.4	E206 A207 L208 L399	E206-E397 PolarHBondContact O-N 3.06Å; A207-E397 CarbonylContact C-O 3.59Å; A207-E397 WeakPolarHBondContact CA-O 3.48Å; A207-E397 HydrophobicContact CB-CB 4.01Å; L208-E397 PolarHBondContact N-O 2.97Å; E397-L399 VanDerWaalsContact C-N 3.25Å; E397-L399 PolarHBondContact O-N 3.22Å
398	G	88.6	Confident	95.3	Very high	50 Å²	50	36.6 Å²	36.6	52%	0.515	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-6.4	-177.4	0	0	0	0	0	115.7
399	L	90.4	Very high	95.3	Very high	19 Å²	19	36.1 Å²	36.1	10%	0.099	21%	0.207	C	C	.	.			trans	-93.6	116.8	-176.8	-172	73.9	0	0	0	113.4	L208 I395 P396 E397 V401 L425 L429 T446	L208-L399 HydrophobicContact CB-CD1 4.42Å; L208-L399 HydrophobicContact CD1-CD1 4.13Å; L208-L399 HydrophobicContact CD1-CD2 4.25Å; I395-L399 HydrophobicContact CG2-CD2 4.49Å; P396-L399 HydrophobicContact CB-CB 4.45Å; P396-L399 HydrophobicContact CG-CD2 4.34Å; P396-L399 WeakPolarHBondContact O-CB 3.31Å; P396-L399 PolarHBondContact O-N 3.28Å; E397-L399 VanDerWaalsContact C-N 3.25Å; E397-L399 PolarHBondContact O-N 3.22Å; L399-V401 HydrophobicContact CD2-CG2 3.69Å; L399-V401 HydrophobicContact CG-CG2 4.17Å; L399-V401 PolarHBondContact O-N 3.22Å; L399-V401 VanDerWaalsContact O-N 3.15Å; L399-L425 HydrophobicContact CD1-CD1 3.83Å; L399-L429 HydrophobicContact CD1-CD1 4.25Å; L399-L429 HydrophobicContact CD1-CD2 3.86Å; L399-L429 HydrophobicContact CD1-CG 4.44Å; L399-L429 HydrophobicContact CD2-CD2 3.75Å; L399-L429 HydrophobicContact CG-CD2 4.46Å; L399-T446 HydrophobicContact CD1-CG2 3.78Å; L399-T446 HydrophobicContact CD2-CG2 4.04Å; L399-T446 HydrophobicContact CG-CG2 4.02Å
400	E	89.6	Confident	95.4	Very high	84 Å²	84	34.4 Å²	34.4	39%	0.393	20%	0.2	S	C	.	.			trans	-79.7	92	165	-171.7	174.4	-152	0	0	110.1	L215 S402 N450	L215-E400 WeakPolarHBondContact CD2-OE2 3.13Å; E400-S402 PolarHBondContact O-N 3.42Å; E400-N450 PolarHBondContact N-OD1 3.04Å; E400-N450 PolarHBondContact O-ND2 3.29Å
401	V	91.9	Very high	95.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.024	20%	0.2	C	C	.	.			trans	-63.5	132.3	173.5	174.8	0	0	0	0	110.3	N367 I371 L376 I395 L399	N367-V401 PolarHBondContact ND2-O 2.88Å; N367-V401 PolarHBondContact OD1-O 2.71Å; I371-V401 HydrophobicContact CD1-CB 4.29Å; I371-V401 HydrophobicContact CD1-CG1 4.4Å; I371-V401 HydrophobicContact CG1-CB 4.49Å; I371-V401 HydrophobicContact CG1-CG1 4.06Å; L376-V401 HydrophobicContact CD1-CG1 3.79Å; I395-V401 HydrophobicContact CG2-CG2 3.48Å; I395-V401 VanDerWaalsContact CG2-CG2 3.48Å; L399-V401 HydrophobicContact CD2-CG2 3.69Å; L399-V401 HydrophobicContact CG-CG2 4.17Å; L399-V401 PolarHBondContact O-N 3.22Å; L399-V401 VanDerWaalsContact O-N 3.15Å
402	S	91	Very high	95.5	Very high	31 Å²	31	36.9 Å²	36.9	22%	0.217	20%	0.204	C	C	.	.			trans	-142.2	162.9	175.5	-167.4	0	0	0	0	110.9	E400 S442 T446	E400-S402 PolarHBondContact O-N 3.42Å; S402-S442 WeakPolarHBondContact O-CA 3.23Å; S402-S442 WeakPolarHBondContact O-CB 3.28Å; S402-T446 PolarHBondContact N-OG1 3.39Å; S402-T446 PolarHBondContact O-OG1 3.48Å
403	G	95.2	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.			trans	174.6	179.1	-177.6	0	0	0	0	0	114.5	S362 H363 F370 E441	S362-G403 CarbonylContact C-O 3.46Å; S362-G403 WeakPolarHBondContact CA-O 3.43Å; H363-G403 PolarHBondContact CD2-O 3.15Å; H363-G403 PolarHBondContact N-O 2.76Å; F370-G403 VanDerWaalsContact CZ-CA 3.49Å; G403-E441 CarbonylContact C-O 3.54Å; G403-E441 WeakPolarHBondContact CA-O 3.21Å
404	G	95.6	Very high	95.7	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	170.1	-100	-179.7	0	0	0	0	0	111.3	K361 E441 H445	K361-G404 CarbonylContact O-C 3.6Å; K361-G404 VanDerWaalsContact O-CA 3.3Å; K361-G404 WeakPolarHBondContact O-CA 3.46Å; G404-E441 PolarHBondContact N-O 2.75Å; G404-H445 PolarHBondContact N-NE2 2.79Å
405	S	97.6	Very high	95.8	Very high	18 Å²	18	34.8 Å²	34.8	13%	0.126	18%	0.178	C	C	.	.			trans	-96.6	134.3	179.5	-166.4	0	0	0	0	112.7	K361 W407 H445 N461	K361-S405 PolarHBondContact O-N 2.72Å; S405-W407 PolarHBondContact O-N 2.88Å; S405-W407 PolarHBondContact OG-N 2.66Å; S405-H445 PolarHBondContact O-CE1 3.16Å; S405-N461 WeakPolarHBondContact CB-ND2 3.25Å; S405-N461 PolarHBondContact OG-ND2 2.88Å
406	D	98.3	Very high	96	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	19%	0.189	C	C	.	.	S	Bend	trans	-67.4	-4.8	167.6	60.9	-38.1	0	0	0	114.8	N333 F408 A440 E441	N333-D406 PolarHBondContact ND2-O 3.19Å; D406-F408 VanDerWaalsContact O-CD1 3.24Å; D406-F408 WeakPolarHBondContact O-CD1 3.41Å; D406-F408 WeakPolarHBondContact O-CE1 3.49Å; D406-A440 HydrophobicContact CB-CB 4.04Å; D406-E441 HydrophobicContact CB-CG 3.77Å
407	W	98.7	Very high	96.1	Very high	14 Å²	14	38.1 Å²	38.1	5%	0.053	19%	0.194	C	C	.	.			trans	-101.3	130.2	176.3	-57.1	91.1	0	0	0	109.6	N333 L334 S405 N461 R463 R510	N333-W407 HydrophobicContact CB-CE3 4.31Å; N333-W407 HydrophobicContact CB-CZ3 4.17Å; L334-W407 VanDerWaalsContact C-CZ3 3.46Å; S405-W407 PolarHBondContact O-N 2.88Å; S405-W407 PolarHBondContact OG-N 2.66Å; W407-N461 WeakPolarHBondContact O-CB 3.29Å; W407-N461 PolarHBondContact O-ND2 2.04Å; W407-R463 HydrophobicContact CB-CG 3.83Å; W407-R510 VanDerWaalsContact CE2-NH1 3.35Å; W407-R510 VanDerWaalsContact CZ2-CZ 3.42Å
408	F	98.6	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-154.9	176.1	-169.7	43.8	-108.5	0	0	0	113.3	M317 F331 N333 F359 L360 D406 L410 F444 R463	M317-F408 HydrophobicContact CE-CE2 4.22Å; F331-F408 HydrophobicContact CD1-CD2 4.47Å; F331-F408 AromaticContact CD1-CE2 3.92Å; F331-F408 HydrophobicContact CD1-CE2 3.92Å; F331-F408 AromaticContact CE1-CE2 3.74Å; F331-F408 HydrophobicContact CE1-CE2 3.74Å; N333-F408 PolarHBondContact OD1-N 2.93Å; N333-F408 PolarHBondContact OD1-O 2.79Å; F359-F408 VanDerWaalsContact O-CA 3.31Å; F359-F408 WeakPolarHBondContact O-CA 3.5Å; F359-F408 VanDerWaalsContact O-CB 3.27Å; F359-F408 WeakPolarHBondContact O-CB 3.46Å; L360-F408 HydrophobicContact CD2-CB 3.66Å; L360-F408 HydrophobicContact CD2-CD1 3.84Å; L360-F408 HydrophobicContact CD2-CG 4.01Å; L360-F408 HydrophobicContact CG-CB 4.19Å; D406-F408 VanDerWaalsContact O-CD1 3.24Å; D406-F408 WeakPolarHBondContact O-CD1 3.41Å; D406-F408 WeakPolarHBondContact O-CE1 3.49Å; F408-L410 HydrophobicContact CB-CD2 4.46Å; F408-L410 HydrophobicContact CD2-CD1 3.69Å; F408-L410 HydrophobicContact CD2-CD2 4.39Å; F408-L410 HydrophobicContact CD2-CG 3.63Å; F408-L410 HydrophobicContact CE2-CD1 3.65Å; F408-L410 HydrophobicContact CE2-CG 4.1Å; F408-L410 HydrophobicContact CG-CD1 4.39Å; F408-L410 HydrophobicContact CG-CG 4.26Å; F408-L410 HydrophobicContact CZ-CD1 4.35Å; F408-F444 HydrophobicContact CD1-CD2 4.32Å; F408-F444 AromaticContact CE1-CD2 3.45Å; F408-F444 HydrophobicContact CE1-CD2 3.45Å; F408-F444 VanDerWaalsContact CE1-CD2 3.45Å; F408-F444 AromaticContact CE1-CE2 3.72Å; F408-F444 HydrophobicContact CE1-CE2 3.72Å; F408-F444 HydrophobicContact CE1-CG 4.2Å; F408-F444 AromaticContact CZ-CD2 3.66Å; F408-F444 HydrophobicContact CZ-CD2 3.66Å; F408-F444 AromaticContact CZ-CE2 3.51Å; F408-F444 HydrophobicContact CZ-CE2 3.51Å; F408-F444 HydrophobicContact CZ-CG 4.31Å; F408-F444 HydrophobicContact CZ-CZ 4.06Å; F408-R463 PolarHBondContact O-NH2 3.32Å
409	A	98.8	Very high	96.7	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.017	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.9	161.2	0	0	0	0	0	109.2	F331 I332 F359	F331-A409 CarbonylContact O-C 3.54Å; F331-A409 WeakPolarHBondContact O-CA 3.48Å; I332-A409 HydrophobicContact CD1-CB 4.03Å; I332-A409 HydrophobicContact CG1-CB 3.75Å; F359-A409 HydrophobicContact CB-CB 4.12Å; F359-A409 HydrophobicContact CD2-CB 4.29Å; F359-A409 PolarHBondContact N-O 2.57Å; F359-A409 PolarHBondContact O-N 2.93Å
410	L	98.9	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.6	-172.4	-58.1	177.1	0	0	0	111.5	M317 F330 F331 N358 L360 F408 F414 V415 F444	M317-L410 HydrophobicContact CE-CD1 4.01Å; F330-L410 CarbonylContact C-O 3.56Å; F330-L410 WeakPolarHBondContact CA-O 3.25Å; F331-L410 PolarHBondContact N-O 3.4Å; F331-L410 PolarHBondContact O-N 3.49Å; N358-L410 HydrophobicContact CB-CD2 4.15Å; L360-L410 HydrophobicContact CD1-CD2 3.94Å; L360-L410 HydrophobicContact CD2-CD2 4.46Å; L360-L410 HydrophobicContact CG-CD2 4.03Å; F408-L410 HydrophobicContact CB-CD2 4.46Å; F408-L410 HydrophobicContact CD2-CD1 3.69Å; F408-L410 HydrophobicContact CD2-CD2 4.39Å; F408-L410 HydrophobicContact CD2-CG 3.63Å; F408-L410 HydrophobicContact CE2-CD1 3.65Å; F408-L410 HydrophobicContact CE2-CG 4.1Å; F408-L410 HydrophobicContact CG-CD1 4.39Å; F408-L410 HydrophobicContact CG-CG 4.26Å; F408-L410 HydrophobicContact CZ-CD1 4.35Å; L410-F414 HydrophobicContact CB-CD1 4.34Å; L410-F414 HydrophobicContact CD1-CD1 4.11Å; L410-F414 HydrophobicContact CD1-CE1 4.13Å; L410-F414 HydrophobicContact CD2-CD1 3.93Å; L410-F414 HydrophobicContact CD2-CE1 4.1Å; L410-F414 HydrophobicContact CG-CD1 4.34Å; L410-V415 HydrophobicContact CB-CG2 3.91Å; L410-F444 HydrophobicContact CD1-CD1 3.8Å; L410-F444 HydrophobicContact CD1-CE1 4.22Å; L410-F444 HydrophobicContact CD1-CG 4.25Å
411	T	98.8	Very high	97.4	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	147	176.2	59	0	0	0	0	111.5	F330 R355 K357 N358 R413 F414 V415	F330-T411 HydrophobicContact CE1-CG2 3.87Å; F330-T411 HydrophobicContact CZ-CG2 4.1Å; R355-T411 WeakPolarHBondContact O-CG2 3.42Å; K357-T411 VanDerWaalsContact O-CG2 3.29Å; K357-T411 WeakPolarHBondContact O-CG2 3.43Å; N358-T411 PolarHBondContact ND2-OG1 2.98Å; N358-T411 WeakPolarHBondContact OD1-CB 3.42Å; N358-T411 WeakPolarHBondContact OD1-CG2 3.48Å; N358-T411 PolarHBondContact OD1-N 2.9Å; N358-T411 PolarHBondContact OD1-OG1 2.89Å; T411-R413 PolarHBondContact O-N 2.87Å; T411-F414 PolarHBondContact O-N 3.09Å; T411-F414 VanDerWaalsContact O-N 3.11Å; T411-F414 WeakPolarHBondContact OG1-CB 3.43Å; T411-F414 PolarHBondContact OG1-N 3.07Å; T411-V415 WeakPolarHBondContact O-CG2 3.47Å; T411-V415 PolarHBondContact O-N 3.02Å
412	R	98.7	Very high	97.6	Very high	70 Å²	70	38.8 Å²	38.8	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-52.4	-39.3	172.8	-169.3	-173.8	-165.9	108.7	5.1	111.8	L321 W326 W328 D329 V415 D416	L321-R412 HydrophobicContact CD2-CG 4.1Å; W326-R412 PolarHBondContact O-NH1 3.41Å; W328-R412 VanDerWaalsContact CD1-NH1 3.27Å; W328-R412 HydrophobicContact CD2-CG 4.45Å; W328-R412 HydrophobicContact CE3-CB 4.01Å; W328-R412 HydrophobicContact CE3-CG 4.16Å; W328-R412 HydrophobicContact CH2-CB 4.04Å; W328-R412 HydrophobicContact CH2-CG 3.69Å; W328-R412 HydrophobicContact CZ2-CG 3.99Å; W328-R412 HydrophobicContact CZ3-CB 3.64Å; W328-R412 HydrophobicContact CZ3-CG 3.79Å; W328-R412 VanDerWaalsContact NE1-NH1 3.19Å; W328-R412 WeakPolarHBondContact O-CD 3.46Å; W328-R412 PolarHBondContact O-NH1 3.35Å; D329-R412 PolarHBondContact O-N 3.35Å; R412-V415 PolarHBondContact O-N 2.93Å; R412-D416 VanDerWaalsContact O-CB 3.29Å; R412-D416 WeakPolarHBondContact O-CB 3.5Å; R412-D416 PolarHBondContact O-N 2.67Å
413	R	98.5	Very high	97.8	Very high	182 Å²	182	38.8 Å²	38.8	69%	0.687	19%	0.189	S	C	*	.	H	α-helix	trans	-61.4	-44.3	178.2	-175.1	-178.2	173.5	-165.4	-3.1	112.8	T411 Y417 M453	T411-R413 PolarHBondContact O-N 2.87Å; R413-Y417 PolarHBondContact O-N 3.47Å; R413-Y417 VanDerWaalsContact O-N 3.1Å; R413-M453 HydrophobicContact CB-CE 4.29Å; R413-M453 HydrophobicContact CG-CE 3.86Å; R413-M453 HydrophobicContact CG-SD 4.24Å
414	F	98.7	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-37.2	177	179.1	-116.6	0	0	0	111.9	N358 L410 T411 Y417 V418 F444 V447 L448 M453	N358-F414 WeakPolarHBondContact OD1-CB 3.23Å; L410-F414 HydrophobicContact CB-CD1 4.34Å; L410-F414 HydrophobicContact CD1-CD1 4.11Å; L410-F414 HydrophobicContact CD1-CE1 4.13Å; L410-F414 HydrophobicContact CD2-CD1 3.93Å; L410-F414 HydrophobicContact CD2-CE1 4.1Å; L410-F414 HydrophobicContact CG-CD1 4.34Å; T411-F414 PolarHBondContact O-N 3.09Å; T411-F414 VanDerWaalsContact O-N 3.11Å; T411-F414 WeakPolarHBondContact OG1-CB 3.43Å; T411-F414 PolarHBondContact OG1-N 3.07Å; F414-Y417 HydrophobicContact CD2-CD1 4.11Å; F414-Y417 HydrophobicContact CE2-CD1 4.09Å; F414-Y417 PolarHBondContact O-N 3.39Å; F414-V418 HydrophobicContact CD1-CG2 4.18Å; F414-V418 HydrophobicContact CD2-CG2 4.11Å; F414-V418 HydrophobicContact CE1-CG2 3.72Å; F414-V418 HydrophobicContact CE2-CG2 3.63Å; F414-V418 HydrophobicContact CG-CG2 4.36Å; F414-V418 HydrophobicContact CZ-CG2 3.41Å; F414-V418 VanDerWaalsContact CZ-CG2 3.41Å; F414-V418 WeakPolarHBondContact O-CB 3.35Å; F414-V418 VanDerWaalsContact O-CG2 3.26Å; F414-V418 WeakPolarHBondContact O-CG2 3.41Å; F414-V418 PolarHBondContact O-N 3.35Å; F414-F444 HydrophobicContact CE1-CD1 4.35Å; F414-V447 HydrophobicContact CE2-CG1 4.07Å; F414-V447 HydrophobicContact CZ-CB 4.34Å; F414-V447 HydrophobicContact CZ-CG1 4.12Å; F414-L448 HydrophobicContact CD2-CD1 3.67Å; F414-L448 HydrophobicContact CE1-CB 4.28Å; F414-L448 HydrophobicContact CE2-CB 3.81Å; F414-L448 HydrophobicContact CE2-CD1 3.6Å; F414-L448 HydrophobicContact CE2-CG 4.28Å; F414-L448 HydrophobicContact CG-CD1 4.25Å; F414-L448 HydrophobicContact CZ-CB 3.59Å; F414-L448 HydrophobicContact CZ-CD1 4.12Å; F414-L448 HydrophobicContact CZ-CG 4.35Å; F414-M453 HydrophobicContact CB-CE 3.89Å; F414-M453 HydrophobicContact CD2-SD 4.41Å
415	V	98.8	Very high	97.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-43	174.9	174	0	0	0	0	111.5	M317 L321 W328 F331 L410 T411 R412 V418 V419	M317-V415 HydrophobicContact CB-CG1 3.54Å; M317-V415 HydrophobicContact CE-CG2 4.27Å; M317-V415 HydrophobicContact CG-CG1 3.53Å; M317-V415 HydrophobicContact SD-CG1 3.91Å; M317-V415 HydrophobicContact SD-CG2 4.35Å; L321-V415 HydrophobicContact CD1-CG1 4.29Å; W328-V415 HydrophobicContact CH2-CB 3.97Å; W328-V415 HydrophobicContact CH2-CG1 3.81Å; W328-V415 HydrophobicContact CH2-CG2 4.34Å; F331-V415 HydrophobicContact CB-CG2 4.02Å; F331-V415 HydrophobicContact CG-CG2 4.49Å; L410-V415 HydrophobicContact CB-CG2 3.91Å; T411-V415 WeakPolarHBondContact O-CG2 3.47Å; T411-V415 PolarHBondContact O-N 3.02Å; R412-V415 PolarHBondContact O-N 2.93Å; V415-V418 PolarHBondContact O-N 2.87Å; V415-V419 HydrophobicContact CG1-CG2 4.42Å; V415-V419 WeakPolarHBondContact O-CB 3.45Å; V415-V419 WeakPolarHBondContact O-CG2 3.47Å; V415-V419 PolarHBondContact O-N 3.24Å
416	D	98.6	Very high	97.8	Very high	90 Å²	90	42.9 Å²	42.9	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-44.6	175	-171.1	55.6	0	0	0	112	L321 R412 V419 G420	L321-D416 HydrophobicContact CD1-CB 4.39Å; L321-D416 HydrophobicContact CD2-CB 4.08Å; R412-D416 VanDerWaalsContact O-CB 3.29Å; R412-D416 WeakPolarHBondContact O-CB 3.5Å; R412-D416 PolarHBondContact O-N 2.67Å; D416-V419 PolarHBondContact O-N 2.63Å; D416-G420 PolarHBondContact O-N 2.81Å
417	Y	98.6	Very high	97.8	Very high	36 Å²	36	46 Å²	46	14%	0.141	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-49.4	172	173.6	-108.5	0	0	0	112.6	R413 F414 V419 S421 D423 V426 V447	R413-Y417 PolarHBondContact O-N 3.47Å; R413-Y417 VanDerWaalsContact O-N 3.1Å; F414-Y417 HydrophobicContact CD2-CD1 4.11Å; F414-Y417 HydrophobicContact CE2-CD1 4.09Å; F414-Y417 PolarHBondContact O-N 3.39Å; Y417-V419 VanDerWaalsContact C-N 3.34Å; Y417-V419 PolarHBondContact O-N 3.2Å; Y417-S421 WeakPolarHBondContact O-CB 3.46Å; Y417-S421 PolarHBondContact O-N 2.97Å; Y417-D423 WeakPolarHBondContact CE2-OD2 3.2Å; Y417-D423 VanDerWaalsContact CZ-OD2 3.23Å; Y417-D423 PolarHBondContact OH-OD2 3.15Å; Y417-V426 HydrophobicContact CD1-CG2 4.46Å; Y417-V426 HydrophobicContact CE1-CG2 3.72Å; Y417-V426 HydrophobicContact CE2-CG2 4.25Å; Y417-V426 WeakPolarHBondContact OH-CG2 3.41Å; Y417-V447 HydrophobicContact CD1-CG1 4.5Å; Y417-V447 HydrophobicContact CE1-CG1 3.98Å
418	V	98.3	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-40.3	179.3	166.7	0	0	0	0	112	L314 F414 V415 V426 K430 F443 F444 V447	L314-V418 HydrophobicContact CD2-CG1 3.55Å; F414-V418 HydrophobicContact CD1-CG2 4.18Å; F414-V418 HydrophobicContact CD2-CG2 4.11Å; F414-V418 HydrophobicContact CE1-CG2 3.72Å; F414-V418 HydrophobicContact CE2-CG2 3.63Å; F414-V418 HydrophobicContact CG-CG2 4.36Å; F414-V418 HydrophobicContact CZ-CG2 3.41Å; F414-V418 VanDerWaalsContact CZ-CG2 3.41Å; F414-V418 WeakPolarHBondContact O-CB 3.35Å; F414-V418 VanDerWaalsContact O-CG2 3.26Å; F414-V418 WeakPolarHBondContact O-CG2 3.41Å; F414-V418 PolarHBondContact O-N 3.35Å; V415-V418 PolarHBondContact O-N 2.87Å; V418-V426 WeakPolarHBondContact O-CG1 3.12Å; V418-K430 WeakPolarHBondContact O-CE 3.49Å; V418-K430 PolarHBondContact O-NZ 3.42Å; V418-F443 HydrophobicContact CG1-CE1 3.74Å; V418-F443 HydrophobicContact CG1-CZ 4.1Å; V418-F444 HydrophobicContact CG1-CE1 4.19Å; V418-V447 HydrophobicContact CG2-CG1 3.99Å
419	V	98	Very high	97.7	Very high	22 Å²	22	45.9 Å²	45.9	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-77.3	-57.5	179.9	173.3	0	0	0	0	110.9	M317 Q318 L321 V415 D416 Y417 K430	M317-V419 HydrophobicContact CB-CG2 3.65Å; Q318-V419 HydrophobicContact CB-CG1 3.96Å; Q318-V419 HydrophobicContact CG-CG1 4.32Å; Q318-V419 VanDerWaalsContact OE1-CG1 3.25Å; L321-V419 HydrophobicContact CD1-CB 3.79Å; L321-V419 HydrophobicContact CD1-CG1 4.04Å; L321-V419 HydrophobicContact CD1-CG2 3.94Å; V415-V419 HydrophobicContact CG1-CG2 4.42Å; V415-V419 WeakPolarHBondContact O-CB 3.45Å; V415-V419 WeakPolarHBondContact O-CG2 3.47Å; V415-V419 PolarHBondContact O-N 3.24Å; D416-V419 PolarHBondContact O-N 2.63Å; Y417-V419 VanDerWaalsContact C-N 3.34Å; Y417-V419 PolarHBondContact O-N 3.2Å; V419-K430 PolarHBondContact O-NZ 2.95Å
420	G	96.7	Very high	97.7	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-89.3	-16.8	-166	0	0	0	0	0	116.7	D416	D416-G420 PolarHBondContact O-N 2.81Å
421	S	96.9	Very high	97.6	Very high	25 Å²	25	51.8 Å²	51.8	18%	0.175	25%	0.247	C	C	.	.			trans	-63.9	141.5	-179.1	-171.4	0	0	0	0	112.4	Y417 D423	Y417-S421 WeakPolarHBondContact O-CB 3.46Å; Y417-S421 PolarHBondContact O-N 2.97Å; S421-D423 VanDerWaalsContact OG-CG 3.24Å; S421-D423 PolarHBondContact OG-N 3.27Å; S421-D423 VanDerWaalsContact OG-N 3.15Å; S421-D423 PolarHBondContact OG-OD2 2.95Å
422	R	95.5	Very high	97.6	Very high	225 Å²	225	51.5 Å²	51.5	85%	0.849	25%	0.245	S	C	*	.			trans	-109.7	12.6	173.7	-59.8	-175.3	-179.8	-171.5	-0.2	112.5	L427	R422-L427 WeakPolarHBondContact O-CD1 3.22Å
423	D	95.3	Very high	97.5	Very high	31 Å²	31	48.2 Å²	48.2	17%	0.166	23%	0.233	C	C	.	.	S	Bend	trans	-68.2	157.7	173.3	73	59.4	0	0	0	111.9	F211 Y417 S421 L425 V426 L427	F211-D423 HydrophobicContact CE2-CB 4Å; F211-D423 HydrophobicContact CZ-CB 4.29Å; Y417-D423 WeakPolarHBondContact CE2-OD2 3.2Å; Y417-D423 VanDerWaalsContact CZ-OD2 3.23Å; Y417-D423 PolarHBondContact OH-OD2 3.15Å; S421-D423 VanDerWaalsContact OG-CG 3.24Å; S421-D423 PolarHBondContact OG-N 3.27Å; S421-D423 VanDerWaalsContact OG-N 3.15Å; S421-D423 PolarHBondContact OG-OD2 2.95Å; D423-L425 VanDerWaalsContact C-N 3.27Å; D423-L425 PolarHBondContact O-N 3.39Å; D423-L425 WeakPolarHBondContact OD1-CA 3.4Å; D423-L425 VanDerWaalsContact OD1-CB 3.3Å; D423-L425 WeakPolarHBondContact OD1-CB 3.21Å; D423-L425 PolarHBondContact OD1-N 3.15Å; D423-V426 PolarHBondContact O-N 2.87Å; D423-V426 PolarHBondContact OD1-N 2.84Å; D423-L427 WeakPolarHBondContact O-CB 3.34Å; D423-L427 WeakPolarHBondContact O-CG 3.28Å; D423-L427 PolarHBondContact O-N 3.18Å
424	Q	95.9	Very high	97.5	Very high	122 Å²	122	43 Å²	43	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-66.3	-26.9	-175.4	-178.6	-178.7	-3.2	0	0	113	L208 P209 G428	L208-Q424 HydrophobicContact CD2-CG 4.47Å; P209-Q424 HydrophobicContact CG-CB 3.98Å; P209-Q424 HydrophobicContact CG-CG 4.33Å; Q424-G428 WeakPolarHBondContact O-CA 3.23Å; Q424-G428 PolarHBondContact O-N 2.87Å
425	L	96.6	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-52.8	177	175	68.8	0	0	0	110.1	P209 F211 L399 D423 G428 L429 N450	P209-L425 HydrophobicContact CG-CB 4.29Å; F211-L425 HydrophobicContact CD2-CB 4.05Å; F211-L425 HydrophobicContact CD2-CD2 3.88Å; F211-L425 HydrophobicContact CE2-CB 3.7Å; F211-L425 HydrophobicContact CE2-CD2 4.41Å; L399-L425 HydrophobicContact CD1-CD1 3.83Å; D423-L425 VanDerWaalsContact C-N 3.27Å; D423-L425 PolarHBondContact O-N 3.39Å; D423-L425 WeakPolarHBondContact OD1-CA 3.4Å; D423-L425 VanDerWaalsContact OD1-CB 3.3Å; D423-L425 WeakPolarHBondContact OD1-CB 3.21Å; D423-L425 PolarHBondContact OD1-N 3.15Å; L425-G428 PolarHBondContact O-N 3.5Å; L425-L429 HydrophobicContact CD1-CD1 3.48Å; L425-L429 VanDerWaalsContact CD1-CD1 3.48Å; L425-L429 HydrophobicContact CD1-CG 4.11Å; L425-L429 HydrophobicContact CG-CD1 3.9Å; L425-L429 VanDerWaalsContact O-CB 3.28Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 VanDerWaalsContact O-CG 3.23Å; L425-L429 WeakPolarHBondContact O-CG 3.32Å; L425-L429 PolarHBondContact O-N 3.49Å; L425-N450 HydrophobicContact CD1-CB 3.82Å; L425-N450 HydrophobicContact CD2-CB 3.65Å; L425-N450 HydrophobicContact CG-CB 4.39Å
426	V	97.8	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-40.8	-178	172.8	0	0	0	0	111.5	Y417 V418 D423 K430 V447	Y417-V426 HydrophobicContact CD1-CG2 4.46Å; Y417-V426 HydrophobicContact CE1-CG2 3.72Å; Y417-V426 HydrophobicContact CE2-CG2 4.25Å; Y417-V426 WeakPolarHBondContact OH-CG2 3.41Å; V418-V426 WeakPolarHBondContact O-CG1 3.12Å; D423-V426 PolarHBondContact O-N 2.87Å; D423-V426 PolarHBondContact OD1-N 2.84Å; V426-K430 HydrophobicContact CG1-CD 4.13Å; V426-K430 WeakPolarHBondContact O-CB 3.45Å; V426-K430 WeakPolarHBondContact O-CD 3.24Å; V426-K430 VanDerWaalsContact O-CG 3.23Å; V426-K430 WeakPolarHBondContact O-CG 3.2Å; V426-K430 PolarHBondContact O-N 2.86Å; V426-V447 HydrophobicContact CG2-CG1 4.08Å
427	L	97.3	Very high	97.4	Very high	90 Å²	90	40.4 Å²	40.4	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-46.3	175.8	-67.2	176.9	0	0	0	111.9	R422 D423 L429 K430 Q431	R422-L427 WeakPolarHBondContact O-CD1 3.22Å; D423-L427 WeakPolarHBondContact O-CB 3.34Å; D423-L427 WeakPolarHBondContact O-CG 3.28Å; D423-L427 PolarHBondContact O-N 3.18Å; L427-L429 PolarHBondContact O-N 2.92Å; L427-K430 PolarHBondContact O-N 3.07Å; L427-Q431 PolarHBondContact O-N 3.07Å; L427-Q431 VanDerWaalsContact O-N 3.13Å
428	G	97.5	Very high	97.4	Very high	10 Å²	10	39.9 Å²	39.9	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-38	178.9	0	0	0	0	0	113.4	Q424 L425 Q431 F432	Q424-G428 WeakPolarHBondContact O-CA 3.23Å; Q424-G428 PolarHBondContact O-N 2.87Å; L425-G428 PolarHBondContact O-N 3.5Å; G428-Q431 PolarHBondContact O-N 3.44Å; G428-F432 WeakPolarHBondContact O-CB 3.41Å; G428-F432 PolarHBondContact O-N 2.61Å
429	L	98	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72	-34.1	175.2	-69.1	173.4	0	0	0	112.6	L208 L399 L425 L427 Q431 F432 Y433 F443 T446 V447	L208-L429 HydrophobicContact CD1-CD2 3.84Å; L208-L429 HydrophobicContact CD1-CG 4.05Å; L399-L429 HydrophobicContact CD1-CD1 4.25Å; L399-L429 HydrophobicContact CD1-CD2 3.86Å; L399-L429 HydrophobicContact CD1-CG 4.44Å; L399-L429 HydrophobicContact CD2-CD2 3.75Å; L399-L429 HydrophobicContact CG-CD2 4.46Å; L425-L429 HydrophobicContact CD1-CD1 3.48Å; L425-L429 VanDerWaalsContact CD1-CD1 3.48Å; L425-L429 HydrophobicContact CD1-CG 4.11Å; L425-L429 HydrophobicContact CG-CD1 3.9Å; L425-L429 VanDerWaalsContact O-CB 3.28Å; L425-L429 WeakPolarHBondContact O-CB 3.44Å; L425-L429 VanDerWaalsContact O-CG 3.23Å; L425-L429 WeakPolarHBondContact O-CG 3.32Å; L425-L429 PolarHBondContact O-N 3.49Å; L427-L429 PolarHBondContact O-N 2.92Å; L429-Q431 VanDerWaalsContact C-N 3.29Å; L429-Q431 PolarHBondContact O-N 3.34Å; L429-F432 PolarHBondContact O-N 3.38Å; L429-Y433 HydrophobicContact CB-CD2 4.33Å; L429-Y433 HydrophobicContact CD2-CD2 4.21Å; L429-Y433 HydrophobicContact CD2-CE2 3.98Å; L429-Y433 VanDerWaalsContact O-CB 3.32Å; L429-Y433 WeakPolarHBondContact O-CB 3.49Å; L429-Y433 WeakPolarHBondContact O-CD2 3.44Å; L429-Y433 PolarHBondContact O-N 2.94Å; L429-F443 HydrophobicContact CB-CD2 4.48Å; L429-F443 HydrophobicContact CB-CE2 4.21Å; L429-T446 HydrophobicContact CD1-CG2 4Å; L429-T446 HydrophobicContact CD2-CG2 3.93Å; L429-V447 HydrophobicContact CB-CG2 4.15Å; L429-V447 HydrophobicContact CD1-CB 4.3Å; L429-V447 HydrophobicContact CD1-CG2 3.54Å
430	K	98.1	Very high	97.4	Very high	51 Å²	51	39 Å²	39	22%	0.222	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-40.9	170	-76.9	166.5	-177.3	168	0	111.2	V418 V419 V426 L427 T434 F443	V418-K430 WeakPolarHBondContact O-CE 3.49Å; V418-K430 PolarHBondContact O-NZ 3.42Å; V419-K430 PolarHBondContact O-NZ 2.95Å; V426-K430 HydrophobicContact CG1-CD 4.13Å; V426-K430 WeakPolarHBondContact O-CB 3.45Å; V426-K430 WeakPolarHBondContact O-CD 3.24Å; V426-K430 VanDerWaalsContact O-CG 3.23Å; V426-K430 WeakPolarHBondContact O-CG 3.2Å; V426-K430 PolarHBondContact O-N 2.86Å; L427-K430 PolarHBondContact O-N 3.07Å; K430-T434 PolarHBondContact O-N 3.37Å; K430-T434 PolarHBondContact O-OG1 3.21Å; K430-F443 HydrophobicContact CG-CE2 4.25Å; K430-F443 HydrophobicContact CG-CZ 4.31Å
431	Q	97.4	Very high	97.5	Very high	75 Å²	75	38 Å²	38	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-66.8	-53	173.9	-179	65.9	4.7	0	0	112.1	L203 L427 G428 L429 Y433 T434	L203-Q431 WeakPolarHBondContact O-CG 3.38Å; L203-Q431 PolarHBondContact O-NE2 2.81Å; L427-Q431 PolarHBondContact O-N 3.07Å; L427-Q431 VanDerWaalsContact O-N 3.13Å; G428-Q431 PolarHBondContact O-N 3.44Å; L429-Q431 VanDerWaalsContact C-N 3.29Å; L429-Q431 PolarHBondContact O-N 3.34Å; Q431-Y433 VanDerWaalsContact C-N 3.33Å; Q431-Y433 PolarHBondContact O-N 2.86Å; Q431-T434 WeakPolarHBondContact O-CB 3.32Å; Q431-T434 PolarHBondContact O-N 2.87Å
432	F	97.9	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-41.7	-178.5	179.6	-92.8	0	0	0	112.8	M204 P205 R393 I395 P396 G428 L429 Y435	M204-F432 HydrophobicContact SD-CD2 3.89Å; M204-F432 HydrophobicContact SD-CE2 4.48Å; P205-F432 HydrophobicContact CG-CB 4.46Å; R393-F432 VanDerWaalsContact CZ-CE2 3.45Å; R393-F432 VanDerWaalsContact CZ-CZ 3.42Å; R393-F432 PolarHBondContact NH1-O 2.76Å; R393-F432 VanDerWaalsContact NH2-CZ 3.29Å; I395-F432 HydrophobicContact CD1-CZ 3.96Å; P396-F432 HydrophobicContact CG-CD2 4.09Å; P396-F432 HydrophobicContact CG-CE2 4.31Å; G428-F432 WeakPolarHBondContact O-CB 3.41Å; G428-F432 PolarHBondContact O-N 2.61Å; L429-F432 PolarHBondContact O-N 3.38Å; F432-Y435 PolarHBondContact O-N 3.49Å
433	Y	98.3	Very high	97.7	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-85.2	-4	-179.3	-79.1	-74.7	0	0	0	115	L376 L429 Q431 A436 P439 S442 F443 T446	L376-Y433 HydrophobicContact CD2-CE1 3.82Å; L429-Y433 HydrophobicContact CB-CD2 4.33Å; L429-Y433 HydrophobicContact CD2-CD2 4.21Å; L429-Y433 HydrophobicContact CD2-CE2 3.98Å; L429-Y433 VanDerWaalsContact O-CB 3.32Å; L429-Y433 WeakPolarHBondContact O-CB 3.49Å; L429-Y433 WeakPolarHBondContact O-CD2 3.44Å; L429-Y433 PolarHBondContact O-N 2.94Å; Q431-Y433 VanDerWaalsContact C-N 3.33Å; Q431-Y433 PolarHBondContact O-N 2.86Å; Y433-A436 HydrophobicContact CD1-CB 3.81Å; Y433-A436 HydrophobicContact CE1-CB 4.45Å; Y433-P439 HydrophobicContact CD1-CB 3.59Å; Y433-P439 HydrophobicContact CE1-CB 4.44Å; Y433-P439 HydrophobicContact CG-CB 4.31Å; Y433-S442 WeakPolarHBondContact CE1-OG 3.29Å; Y433-S442 VanDerWaalsContact OH-CB 3.24Å; Y433-S442 WeakPolarHBondContact OH-CB 3.43Å; Y433-S442 PolarHBondContact OH-O 2.88Å; Y433-S442 PolarHBondContact OH-OG 2.99Å; Y433-F443 HydrophobicContact CD1-CB 4.22Å; Y433-F443 HydrophobicContact CD2-CB 4.04Å; Y433-F443 AromaticContact CD2-CD2 3.59Å; Y433-F443 HydrophobicContact CD2-CD2 3.59Å; Y433-F443 HydrophobicContact CD2-CG 4.3Å; Y433-F443 HydrophobicContact CE1-CB 4.42Å; Y433-F443 HydrophobicContact CE2-CB 4.23Å; Y433-F443 HydrophobicContact CE2-CD2 4.35Å; Y433-F443 HydrophobicContact CG-CB 4Å; Y433-F443 AromaticContact CG-CD2 3.87Å; Y433-F443 HydrophobicContact CG-CD2 3.87Å; Y433-F443 HydrophobicContact CG-CG 4.43Å; Y433-T446 PolarHBondContact OH-OG1 3.2Å
434	T	98	Very high	97.9	Very high	72 Å²	72	24.6 Å²	24.6	44%	0.442	12%	0.124	S	C	.	.	H	α-helix	trans	-66.9	-30.4	166.1	-67.1	0	0	0	0	111.2	A307 K430 Q431	A307-T434 WeakPolarHBondContact CB-O 3.19Å; K430-T434 PolarHBondContact O-N 3.37Å; K430-T434 PolarHBondContact O-OG1 3.21Å; Q431-T434 WeakPolarHBondContact O-CB 3.32Å; Q431-T434 PolarHBondContact O-N 2.87Å
435	Y	98.2	Very high	97.9	Very high	35 Å²	35	18.9 Å²	18.9	14%	0.137	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	38.6	-175.1	-58.1	-78.5	0	0	0	113	I194 L203 M204 L379 F380 R393 F432	I194-Y435 HydrophobicContact CD1-CD1 4.48Å; I194-Y435 HydrophobicContact CD1-CE1 3.76Å; I194-Y435 HydrophobicContact CG1-CE1 3.94Å; I194-Y435 HydrophobicContact CG2-CD1 4.12Å; I194-Y435 HydrophobicContact CG2-CE1 4.02Å; L203-Y435 HydrophobicContact CD1-CD2 4.42Å; L203-Y435 HydrophobicContact CD1-CE2 3.81Å; L203-Y435 HydrophobicContact CD2-CD2 4.44Å; L203-Y435 HydrophobicContact CD2-CG 4.49Å; L203-Y435 HydrophobicContact CG-CD2 4.41Å; L203-Y435 HydrophobicContact CG-CE2 4.26Å; M204-Y435 HydrophobicContact CE-CD2 3.6Å; M204-Y435 HydrophobicContact CE-CE2 4.5Å; M204-Y435 HydrophobicContact CE-CG 4.12Å; L379-Y435 HydrophobicContact CD1-CG 4.29Å; F380-Y435 PolarHBondContact N-O 3.01Å; F380-Y435 CarbonylContact O-C 3.52Å; F380-Y435 VanDerWaalsContact O-C 3.31Å; F380-Y435 WeakPolarHBondContact O-CA 3.37Å; F380-Y435 VanDerWaalsContact O-CB 3.31Å; F380-Y435 WeakPolarHBondContact O-CB 3.39Å; R393-Y435 PolarHBondContact NH1-O 2.89Å; F432-Y435 PolarHBondContact O-N 3.49Å
436	A	98.1	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.			trans	-128.2	141.4	-174.8	0	0	0	0	0	111.8	Y433 P439	Y433-A436 HydrophobicContact CD1-CB 3.81Å; Y433-A436 HydrophobicContact CE1-CB 4.45Å; A436-P439 HydrophobicContact CB-CB 4.32Å; A436-P439 WeakPolarHBondContact O-CD 2.98Å
437	L	98.3	Very high	97.9	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.098	C	C	.	.	S	Bend	trans	-71.4	144.6	167.6	175.7	70.8	0	0	0	110.7	F380 M387 P439 V481 W483	F380-L437 HydrophobicContact CD1-CB 4.37Å; F380-L437 HydrophobicContact CD2-CB 3.58Å; F380-L437 HydrophobicContact CE1-CB 4.32Å; F380-L437 HydrophobicContact CE1-CD2 4.41Å; F380-L437 HydrophobicContact CE2-CB 3.48Å; F380-L437 VanDerWaalsContact CE2-CB 3.48Å; F380-L437 HydrophobicContact CE2-CD2 4.12Å; F380-L437 HydrophobicContact CE2-CG 4.42Å; F380-L437 HydrophobicContact CG-CB 4.03Å; F380-L437 HydrophobicContact CZ-CB 3.88Å; F380-L437 HydrophobicContact CZ-CD2 3.82Å; F380-L437 HydrophobicContact CZ-CG 4.4Å; M387-L437 HydrophobicContact CG-CD1 3.91Å; M387-L437 HydrophobicContact SD-CD1 4.26Å; L437-P439 VanDerWaalsContact C-CD 3.48Å; L437-P439 VanDerWaalsContact C-N 3.33Å; L437-V481 HydrophobicContact CD1-CB 4.47Å; L437-V481 HydrophobicContact CD1-CG1 4.4Å; L437-W483 HydrophobicContact CD2-CB 3.53Å; L437-W483 HydrophobicContact CD2-CD2 4.09Å; L437-W483 HydrophobicContact CD2-CG 3.38Å
438	L	97.9	Very high	97.9	Very high	25 Å²	25	14.6 Å²	14.6	13%	0.131	8%	0.075	C	C	.	.	S	Bend	trans	48.2	44.5	177.6	-68.5	159.1	0	0	0	113.7	W304 G305 A440 E441	W304-L438 HydrophobicContact CH2-CD1 3.83Å; W304-L438 HydrophobicContact CH2-CD2 4.04Å; W304-L438 HydrophobicContact CH2-CG 4.25Å; W304-L438 HydrophobicContact CZ2-CD1 4.41Å; W304-L438 HydrophobicContact CZ2-CD2 4.04Å; W304-L438 HydrophobicContact CZ3-CD1 4.48Å; G305-L438 PolarHBondContact O-N 3.43Å; L438-A440 VanDerWaalsContact C-N 3.26Å; L438-A440 PolarHBondContact O-N 2.78Å; L438-A440 VanDerWaalsContact O-N 3.15Å; L438-E441 HydrophobicContact CB-CB 4.46Å; L438-E441 HydrophobicContact CB-CG 4.37Å; L438-E441 WeakPolarHBondContact O-CB 3.44Å; L438-E441 PolarHBondContact O-N 3.37Å
439	P	98.3	Very high	97.8	Very high	2 Å²	2	15 Å²	15	1%	0.013	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-66.4	-28.6	-165	25.2	-31.4	0	0	0	113.1	A307 L310 Y433 A436 L437 E441 S442 F443	A307-P439 HydrophobicContact CB-CG 4.3Å; L310-P439 HydrophobicContact CB-CB 4.2Å; L310-P439 HydrophobicContact CB-CG 3.83Å; L310-P439 HydrophobicContact CD2-CB 3.91Å; L310-P439 HydrophobicContact CD2-CG 4.39Å; Y433-P439 HydrophobicContact CD1-CB 3.59Å; Y433-P439 HydrophobicContact CE1-CB 4.44Å; Y433-P439 HydrophobicContact CG-CB 4.31Å; A436-P439 HydrophobicContact CB-CB 4.32Å; A436-P439 WeakPolarHBondContact O-CD 2.98Å; L437-P439 VanDerWaalsContact C-CD 3.48Å; L437-P439 VanDerWaalsContact C-N 3.33Å; P439-E441 PolarHBondContact O-N 3.35Å; P439-S442 PolarHBondContact O-N 2.78Å; P439-F443 WeakPolarHBondContact O-CB 3.37Å; P439-F443 PolarHBondContact O-N 3.17Å
440	A	98.1	Very high	97.6	Very high	2 Å²	2	15 Å²	15	2%	0.017	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-64	-21.6	174.3	0	0	0	0	0	114	L309 Y313 D406 L438 S442	L309-A440 HydrophobicContact CD2-CB 4.32Å; L309-A440 HydrophobicContact CG-CB 4.46Å; Y313-A440 HydrophobicContact CD2-CB 4.12Å; Y313-A440 HydrophobicContact CE2-CB 3.95Å; D406-A440 HydrophobicContact CB-CB 4.04Å; L438-A440 VanDerWaalsContact C-N 3.26Å; L438-A440 PolarHBondContact O-N 2.78Å; L438-A440 VanDerWaalsContact O-N 3.15Å; A440-S442 VanDerWaalsContact C-N 3.27Å; A440-S442 PolarHBondContact O-N 2.82Å
441	E	98.4	Very high	97.5	Very high	28 Å²	28	12.5 Å²	12.5	13%	0.131	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-76.8	-6.7	176.2	-69.7	-169.5	162.1	0	0	113.4	Q374 G403 G404 D406 L438 P439 H445	Q374-E441 PolarHBondContact NE2-OE2 3.05Å; G403-E441 CarbonylContact C-O 3.54Å; G403-E441 WeakPolarHBondContact CA-O 3.21Å; G404-E441 PolarHBondContact N-O 2.75Å; D406-E441 HydrophobicContact CB-CG 3.77Å; L438-E441 HydrophobicContact CB-CB 4.46Å; L438-E441 HydrophobicContact CB-CG 4.37Å; L438-E441 WeakPolarHBondContact O-CB 3.44Å; L438-E441 PolarHBondContact O-N 3.37Å; P439-E441 PolarHBondContact O-N 3.35Å; E441-H445 PolarHBondContact O-CE1 2.92Å
442	S	98.1	Very high	97.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.8	-19.3	179.6	51.9	0	0	0	0	116.8	S402 Y433 P439 A440 F444 H445 T446	S402-S442 WeakPolarHBondContact O-CA 3.23Å; S402-S442 WeakPolarHBondContact O-CB 3.28Å; Y433-S442 WeakPolarHBondContact CE1-OG 3.29Å; Y433-S442 VanDerWaalsContact OH-CB 3.24Å; Y433-S442 WeakPolarHBondContact OH-CB 3.43Å; Y433-S442 PolarHBondContact OH-O 2.88Å; Y433-S442 PolarHBondContact OH-OG 2.99Å; P439-S442 PolarHBondContact O-N 2.78Å; A440-S442 VanDerWaalsContact C-N 3.27Å; A440-S442 PolarHBondContact O-N 2.82Å; S442-F444 PolarHBondContact O-N 2.73Å; S442-H445 PolarHBondContact O-N 2.92Å; S442-T446 WeakPolarHBondContact O-CB 3.29Å; S442-T446 PolarHBondContact O-N 3.08Å; S442-T446 PolarHBondContact O-OG1 3.36Å
443	F	98.7	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.1	-53	178.5	171.9	-93.2	0	0	0	112.2	L310 L314 V418 L429 K430 Y433 P439 H445 T446 V447	L310-F443 HydrophobicContact CD1-CB 4.21Å; L310-F443 HydrophobicContact CD1-CD1 3.54Å; L310-F443 HydrophobicContact CD1-CE1 4.01Å; L310-F443 HydrophobicContact CD1-CG 3.88Å; L310-F443 HydrophobicContact CD2-CB 3.81Å; L310-F443 HydrophobicContact CD2-CD1 4.12Å; L310-F443 HydrophobicContact CD2-CD2 3.72Å; L310-F443 HydrophobicContact CD2-CE2 4.31Å; L310-F443 HydrophobicContact CD2-CG 3.61Å; L310-F443 HydrophobicContact CG-CD1 4.48Å; L310-F443 HydrophobicContact CG-CG 4.42Å; L314-F443 HydrophobicContact CD1-CZ 4.31Å; L314-F443 HydrophobicContact CD2-CE1 3.9Å; L314-F443 HydrophobicContact CD2-CZ 4.17Å; V418-F443 HydrophobicContact CG1-CE1 3.74Å; V418-F443 HydrophobicContact CG1-CZ 4.1Å; L429-F443 HydrophobicContact CB-CD2 4.48Å; L429-F443 HydrophobicContact CB-CE2 4.21Å; K430-F443 HydrophobicContact CG-CE2 4.25Å; K430-F443 HydrophobicContact CG-CZ 4.31Å; Y433-F443 HydrophobicContact CD1-CB 4.22Å; Y433-F443 HydrophobicContact CD2-CB 4.04Å; Y433-F443 AromaticContact CD2-CD2 3.59Å; Y433-F443 HydrophobicContact CD2-CD2 3.59Å; Y433-F443 HydrophobicContact CD2-CG 4.3Å; Y433-F443 HydrophobicContact CE1-CB 4.42Å; Y433-F443 HydrophobicContact CE2-CB 4.23Å; Y433-F443 HydrophobicContact CE2-CD2 4.35Å; Y433-F443 HydrophobicContact CG-CB 4Å; Y433-F443 AromaticContact CG-CD2 3.87Å; Y433-F443 HydrophobicContact CG-CD2 3.87Å; Y433-F443 HydrophobicContact CG-CG 4.43Å; P439-F443 WeakPolarHBondContact O-CB 3.37Å; P439-F443 PolarHBondContact O-N 3.17Å; F443-H445 PolarHBondContact O-N 2.74Å; F443-T446 PolarHBondContact O-N 3.43Å; F443-V447 HydrophobicContact CD1-CG2 4.41Å; F443-V447 HydrophobicContact CD2-CG2 4.17Å; F443-V447 HydrophobicContact CE1-CG2 4.12Å; F443-V447 HydrophobicContact CE2-CG2 3.87Å; F443-V447 HydrophobicContact CG-CG2 4.44Å; F443-V447 HydrophobicContact CZ-CG2 3.84Å; F443-V447 VanDerWaalsContact O-CG2 3.3Å; F443-V447 WeakPolarHBondContact O-CG2 3.45Å; F443-V447 PolarHBondContact O-N 3.48Å
444	F	98.6	Very high	96.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.9	-38.2	-175.4	-64	-75.7	0	0	0	112.5	L310 Y313 L314 M317 L360 F408 L410 F414 V418 S442 L448	L310-F444 HydrophobicContact CD1-CE2 3.66Å; L310-F444 HydrophobicContact CD1-CZ 3.68Å; Y313-F444 HydrophobicContact CD2-CE2 4.45Å; L314-F444 HydrophobicContact CD2-CE1 4.5Å; M317-F444 HydrophobicContact CE-CE1 3.64Å; M317-F444 HydrophobicContact CE-CZ 3.75Å; M317-F444 HydrophobicContact SD-CE1 3.88Å; M317-F444 HydrophobicContact SD-CZ 4.16Å; L360-F444 HydrophobicContact CD1-CB 4.28Å; L360-F444 HydrophobicContact CD2-CB 3.95Å; F408-F444 HydrophobicContact CD1-CD2 4.32Å; F408-F444 AromaticContact CE1-CD2 3.45Å; F408-F444 HydrophobicContact CE1-CD2 3.45Å; F408-F444 VanDerWaalsContact CE1-CD2 3.45Å; F408-F444 AromaticContact CE1-CE2 3.72Å; F408-F444 HydrophobicContact CE1-CE2 3.72Å; F408-F444 HydrophobicContact CE1-CG 4.2Å; F408-F444 AromaticContact CZ-CD2 3.66Å; F408-F444 HydrophobicContact CZ-CD2 3.66Å; F408-F444 AromaticContact CZ-CE2 3.51Å; F408-F444 HydrophobicContact CZ-CE2 3.51Å; F408-F444 HydrophobicContact CZ-CG 4.31Å; F408-F444 HydrophobicContact CZ-CZ 4.06Å; L410-F444 HydrophobicContact CD1-CD1 3.8Å; L410-F444 HydrophobicContact CD1-CE1 4.22Å; L410-F444 HydrophobicContact CD1-CG 4.25Å; F414-F444 HydrophobicContact CE1-CD1 4.35Å; V418-F444 HydrophobicContact CG1-CE1 4.19Å; S442-F444 PolarHBondContact O-N 2.73Å; F444-L448 VanDerWaalsContact O-CB 3.24Å; F444-L448 WeakPolarHBondContact O-CB 3.45Å; F444-L448 PolarHBondContact O-N 2.95Å
445	H	97.5	Very high	96.7	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-45.1	174.3	-47.1	68.3	0	0	0	111.5	K361 G404 S405 E441 S442 F443 G449	K361-H445 PolarHBondContact O-NE2 3.01Å; G404-H445 PolarHBondContact N-NE2 2.79Å; S405-H445 PolarHBondContact O-CE1 3.16Å; E441-H445 PolarHBondContact O-CE1 2.92Å; S442-H445 PolarHBondContact O-N 2.92Å; F443-H445 PolarHBondContact O-N 2.74Å; H445-G449 PolarHBondContact O-N 3.32Å
446	T	96.7	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.7	-44.4	-178.7	-61.2	0	0	0	0	111.1	L399 S402 L429 Y433 S442 F443 N450	L399-T446 HydrophobicContact CD1-CG2 3.78Å; L399-T446 HydrophobicContact CD2-CG2 4.04Å; L399-T446 HydrophobicContact CG-CG2 4.02Å; S402-T446 PolarHBondContact N-OG1 3.39Å; S402-T446 PolarHBondContact O-OG1 3.48Å; L429-T446 HydrophobicContact CD1-CG2 4Å; L429-T446 HydrophobicContact CD2-CG2 3.93Å; Y433-T446 PolarHBondContact OH-OG1 3.2Å; S442-T446 WeakPolarHBondContact O-CB 3.29Å; S442-T446 PolarHBondContact O-N 3.08Å; S442-T446 PolarHBondContact O-OG1 3.36Å; F443-T446 PolarHBondContact O-N 3.43Å; T446-N450 WeakPolarHBondContact O-CB 3.45Å; T446-N450 PolarHBondContact O-N 2.74Å; T446-N450 PolarHBondContact O-ND2 3.16Å
447	V	97.7	Very high	96.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-50.3	173.3	176.3	0	0	0	0	110.3	F414 Y417 V418 V426 L429 F443 N450 S451	F414-V447 HydrophobicContact CE2-CG1 4.07Å; F414-V447 HydrophobicContact CZ-CB 4.34Å; F414-V447 HydrophobicContact CZ-CG1 4.12Å; Y417-V447 HydrophobicContact CD1-CG1 4.5Å; Y417-V447 HydrophobicContact CE1-CG1 3.98Å; V418-V447 HydrophobicContact CG2-CG1 3.99Å; V426-V447 HydrophobicContact CG2-CG1 4.08Å; L429-V447 HydrophobicContact CB-CG2 4.15Å; L429-V447 HydrophobicContact CD1-CB 4.3Å; L429-V447 HydrophobicContact CD1-CG2 3.54Å; F443-V447 HydrophobicContact CD1-CG2 4.41Å; F443-V447 HydrophobicContact CD2-CG2 4.17Å; F443-V447 HydrophobicContact CE1-CG2 4.12Å; F443-V447 HydrophobicContact CE2-CG2 3.87Å; F443-V447 HydrophobicContact CG-CG2 4.44Å; F443-V447 HydrophobicContact CZ-CG2 3.84Å; F443-V447 VanDerWaalsContact O-CG2 3.3Å; F443-V447 WeakPolarHBondContact O-CG2 3.45Å; F443-V447 PolarHBondContact O-N 3.48Å; V447-N450 PolarHBondContact O-N 2.72Å; V447-S451 WeakPolarHBondContact O-CB 3.35Å; V447-S451 PolarHBondContact O-N 3.26Å
448	L	96.6	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-50.5	-177.1	-175.6	59.4	0	0	0	112.1	N358 L360 F414 F444 N450 S451 M453 C454 L457	N358-L448 HydrophobicContact CB-CD2 3.64Å; L360-L448 HydrophobicContact CD1-CB 4.46Å; L360-L448 HydrophobicContact CD1-CD2 3.82Å; F414-L448 HydrophobicContact CD2-CD1 3.67Å; F414-L448 HydrophobicContact CE1-CB 4.28Å; F414-L448 HydrophobicContact CE2-CB 3.81Å; F414-L448 HydrophobicContact CE2-CD1 3.6Å; F414-L448 HydrophobicContact CE2-CG 4.28Å; F414-L448 HydrophobicContact CG-CD1 4.25Å; F414-L448 HydrophobicContact CZ-CB 3.59Å; F414-L448 HydrophobicContact CZ-CD1 4.12Å; F414-L448 HydrophobicContact CZ-CG 4.35Å; F444-L448 VanDerWaalsContact O-CB 3.24Å; F444-L448 WeakPolarHBondContact O-CB 3.45Å; F444-L448 PolarHBondContact O-N 2.95Å; L448-N450 VanDerWaalsContact C-N 3.28Å; L448-N450 PolarHBondContact O-N 2.8Å; L448-S451 PolarHBondContact O-N 3.02Å; L448-S451 VanDerWaalsContact O-N 3.12Å; L448-S451 PolarHBondContact O-OG 3.44Å; L448-M453 HydrophobicContact CD1-CB 3.98Å; L448-M453 WeakPolarHBondContact CD1-O 3.46Å; L448-C454 WeakPolarHBondContact O-CA 3.31Å; L448-C454 WeakPolarHBondContact O-CB 3.32Å; L448-L457 HydrophobicContact CD2-CB 3.81Å; L448-L457 HydrophobicContact CD2-CD1 3.94Å; L448-L457 HydrophobicContact CD2-CG 4.39Å; L448-L457 HydrophobicContact CG-CB 4.32Å
449	G	94.1	Very high	95.9	Very high	17 Å²	17	17.7 Å²	17.7	18%	0.175	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-30.7	-176.9	0	0	0	0	0	114	C212 H445 C454	C212-G449 WeakPolarHBondContact CB-O 3.23Å; C212-G449 PolarHBondContact SG-O 3.34Å; H445-G449 PolarHBondContact O-N 3.32Å; G449-C454 WeakPolarHBondContact O-CB 3.39Å
450	N	95.1	Very high	95.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-91.8	-11.6	176.6	-67.2	-93.9	0	0	0	113.1	Q210 F211 C212 E400 L425 T446 V447 L448	Q210-N450 HydrophobicContact CG-CB 4.49Å; F211-N450 CarbonylContact C-O 3.53Å; F211-N450 WeakPolarHBondContact CA-O 3.46Å; F211-N450 WeakPolarHBondContact CB-O 3.27Å; F211-N450 PolarHBondContact N-O 2.83Å; C212-N450 PolarHBondContact N-O 2.85Å; E400-N450 PolarHBondContact N-OD1 3.04Å; E400-N450 PolarHBondContact O-ND2 3.29Å; L425-N450 HydrophobicContact CD1-CB 3.82Å; L425-N450 HydrophobicContact CD2-CB 3.65Å; L425-N450 HydrophobicContact CG-CB 4.39Å; T446-N450 WeakPolarHBondContact O-CB 3.45Å; T446-N450 PolarHBondContact O-N 2.74Å; T446-N450 PolarHBondContact O-ND2 3.16Å; V447-N450 PolarHBondContact O-N 2.72Å; L448-N450 VanDerWaalsContact C-N 3.28Å; L448-N450 PolarHBondContact O-N 2.8Å
451	S	95.6	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-79.4	172.6	-176.4	73.5	0	0	0	0	114.7	C212 V447 L448 M453 C454	C212-S451 WeakPolarHBondContact CA-O 3.41Å; C212-S451 WeakPolarHBondContact CB-O 3.31Å; C212-S451 PolarHBondContact N-O 3.19Å; V447-S451 WeakPolarHBondContact O-CB 3.35Å; V447-S451 PolarHBondContact O-N 3.26Å; L448-S451 PolarHBondContact O-N 3.02Å; L448-S451 VanDerWaalsContact O-N 3.12Å; L448-S451 PolarHBondContact O-OG 3.44Å; S451-M453 PolarHBondContact O-N 3.46Å; S451-M453 VanDerWaalsContact O-N 3.15Å; S451-M453 PolarHBondContact OG-N 2.71Å; S451-C454 PolarHBondContact O-N 2.78Å
452	H	94.1	Very high	95.6	Very high	123 Å²	123	16.9 Å²	16.9	57%	0.569	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-6.2	166.5	-63.8	-58.5	0	0	0	114.9	F211	F211-H452 AromaticContact CD1-CE1 3.81Å; F211-H452 AromaticContact CD1-NE2 3.91Å; F211-H452 AromaticContact CG-CE1 3.84Å; F211-H452 AromaticContact CG-NE2 3.85Å
453	M	94.4	Very high	95.5	Very high	14 Å²	14	17 Å²	17	7%	0.069	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	15.1	-177.3	-63.9	-179	58.4	0	0	113.3	R413 F414 L448 S451 D455 T456	R413-M453 HydrophobicContact CB-CE 4.29Å; R413-M453 HydrophobicContact CG-CE 3.86Å; R413-M453 HydrophobicContact CG-SD 4.24Å; F414-M453 HydrophobicContact CB-CE 3.89Å; F414-M453 HydrophobicContact CD2-SD 4.41Å; L448-M453 HydrophobicContact CD1-CB 3.98Å; L448-M453 WeakPolarHBondContact CD1-O 3.46Å; S451-M453 PolarHBondContact O-N 3.46Å; S451-M453 VanDerWaalsContact O-N 3.15Å; S451-M453 PolarHBondContact OG-N 2.71Å; M453-D455 VanDerWaalsContact C-OD1 3.27Å; M453-D455 PolarHBondContact O-N 2.7Å; M453-D455 VanDerWaalsContact O-N 3.14Å; M453-T456 HydrophobicContact CB-CG2 4.46Å; M453-T456 HydrophobicContact CE-CG2 4.45Å; M453-T456 WeakPolarHBondContact O-CB 3.3Å; M453-T456 PolarHBondContact O-N 2.82Å; M453-T456 PolarHBondContact O-OG1 3.43Å
454	C	92.9	Very high	95.4	Very high	16 Å²	16	17.4 Å²	17.4	11%	0.108	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-59.4	-25.7	-175	60.7	0	0	0	0	114.3	C212 L448 G449 S451 T456 L457	C212-C454 VanDerWaalsContact CA-SG 3.56Å; C212-C454 HydrophobicContact CB-CB 3.67Å; C212-C454 WeakPolarHBondContact CB-SG 3.35Å; C212-C454 WeakPolarHBondContact SG-CB 3.36Å; C212-C454 CovalentContact SG-SG 2.03Å; C212-C454 PolarHBondContact SG-SG 2.68Å; L448-C454 WeakPolarHBondContact O-CA 3.31Å; L448-C454 WeakPolarHBondContact O-CB 3.32Å; G449-C454 WeakPolarHBondContact O-CB 3.39Å; S451-C454 PolarHBondContact O-N 2.78Å; C454-T456 PolarHBondContact O-N 3.11Å; C454-L457 VanDerWaalsContact O-CB 3.31Å; C454-L457 WeakPolarHBondContact O-CB 3.33Å; C454-L457 PolarHBondContact O-N 3.05Å; C454-L457 VanDerWaalsContact O-N 3.16Å
455	D	92.4	Very high	95.3	Very high	80 Å²	80	18.7 Å²	18.7	43%	0.428	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-67.4	-13.4	173.8	66	-40.8	0	0	0	114.3	M453	M453-D455 VanDerWaalsContact C-OD1 3.27Å; M453-D455 PolarHBondContact O-N 2.7Å; M453-D455 VanDerWaalsContact O-N 3.14Å
456	T	95.2	Very high	95.3	Very high	7 Å²	7	19 Å²	19	4%	0.043	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-86.6	-6.8	173.1	70.2	0	0	0	0	113.5	D356 K357 N358 M453 C454 V458	D356-T456 VanDerWaalsContact O-CB 3.32Å; D356-T456 WeakPolarHBondContact O-CB 3.05Å; D356-T456 WeakPolarHBondContact O-CG2 3.41Å; K357-T456 WeakPolarHBondContact CA-O 3.38Å; N358-T456 PolarHBondContact N-O 2.74Å; N358-T456 PolarHBondContact ND2-OG1 3.05Å; M453-T456 HydrophobicContact CB-CG2 4.46Å; M453-T456 HydrophobicContact CE-CG2 4.45Å; M453-T456 WeakPolarHBondContact O-CB 3.3Å; M453-T456 PolarHBondContact O-N 2.82Å; M453-T456 PolarHBondContact O-OG1 3.43Å; C454-T456 PolarHBondContact O-N 3.11Å; T456-V458 PolarHBondContact O-N 3.13Å
457	L	94.1	Very high	95.2	Very high	24 Å²	24	24.2 Å²	24.2	13%	0.126	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.6	-178.4	173.5	60.1	0	0	0	112.1	L360 L448 C454	L360-L457 HydrophobicContact CB-CD1 3.93Å; L360-L457 HydrophobicContact CD1-CD1 4.38Å; L448-L457 HydrophobicContact CD2-CB 3.81Å; L448-L457 HydrophobicContact CD2-CD1 3.94Å; L448-L457 HydrophobicContact CD2-CG 4.39Å; L448-L457 HydrophobicContact CG-CB 4.32Å; C454-L457 VanDerWaalsContact O-CB 3.31Å; C454-L457 WeakPolarHBondContact O-CB 3.33Å; C454-L457 PolarHBondContact O-N 3.05Å; C454-L457 VanDerWaalsContact O-N 3.16Å
458	V	94.4	Very high	95	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.055	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	169.7	171.1	0	0	0	0	108.8	V221 K357 N358 F359 L360 T456 N460	V221-V458 HydrophobicContact CG2-CG1 3.23Å; K357-V458 HydrophobicContact CB-CG2 3.8Å; K357-V458 HydrophobicContact CD-CG2 4.22Å; K357-V458 HydrophobicContact CG-CG2 3.98Å; N358-V458 PolarHBondContact O-N 2.8Å; F359-V458 HydrophobicContact CD1-CB 3.99Å; F359-V458 HydrophobicContact CD1-CG1 3.72Å; F359-V458 HydrophobicContact CE1-CB 4.18Å; F359-V458 HydrophobicContact CE1-CG1 3.83Å; F359-V458 HydrophobicContact CE1-CG2 4.39Å; L360-V458 PolarHBondContact N-O 3.47Å; T456-V458 PolarHBondContact O-N 3.13Å; V458-N460 HydrophobicContact CG1-CB 4.26Å; V458-N460 PolarHBondContact O-N 3.33Å
459	D	93.7	Very high	94.9	Very high	46 Å²	46	34.2 Å²	34.2	25%	0.246	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	51.7	-178.6	-175.7	26.1	0	0	0	113.2	L360 K361 S362	L360-D459 CarbonylContact O-C 3.55Å; L360-D459 WeakPolarHBondContact O-CA 3.32Å; K361-D459 WeakPolarHBondContact CD-O 3.3Å; K361-D459 WeakPolarHBondContact CD-OD1 3.46Å; K361-D459 WeakPolarHBondContact CE-OD1 3.21Å; K361-D459 PolarHBondContact NZ-O 2.78Å; K361-D459 IonicContact NZ-OD1 2.75Å; K361-D459 PolarHBondContact NZ-OD1 2.84Å; K361-D459 IonicContact NZ-OD2 3.09Å; K361-D459 PolarHBondContact NZ-OD2 3.39Å; S362-D459 WeakPolarHBondContact CB-OD1 3.42Å; S362-D459 PolarHBondContact N-OD1 2.77Å
460	N	93.9	Very high	94.8	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	19%	0.194	C	C	.	.			trans	-150.5	122.8	170.8	-178.1	18.9	0	0	0	108.1	V221 F359 L360 V458 L462 R504 P505	V221-N460 HydrophobicContact CG2-CB 3.85Å; F359-N460 CarbonylContact C-O 3.59Å; F359-N460 WeakPolarHBondContact CA-O 3.49Å; F359-N460 VanDerWaalsContact CB-O 3.27Å; F359-N460 WeakPolarHBondContact CB-O 3.33Å; F359-N460 WeakPolarHBondContact CD1-O 3.06Å; L360-N460 PolarHBondContact O-N 3.08Å; L360-N460 VanDerWaalsContact O-N 3.17Å; V458-N460 HydrophobicContact CG1-CB 4.26Å; V458-N460 PolarHBondContact O-N 3.33Å; N460-L462 VanDerWaalsContact C-N 3.3Å; N460-L462 PolarHBondContact OD1-N 2.92Å; N460-R504 PolarHBondContact OD1-NH1 3.21Å; N460-P505 PolarHBondContact ND2-O 2.95Å
461	N	96.7	Very high	94.7	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	20%	0.201	C	C	.	.			trans	-89.8	9.3	177.8	66.6	-15.8	0	0	0	114.5	K361 S405 W407 R463	K361-N461 HydrophobicContact CB-CB 3.75Å; S405-N461 WeakPolarHBondContact CB-ND2 3.25Å; S405-N461 PolarHBondContact OG-ND2 2.88Å; W407-N461 WeakPolarHBondContact O-CB 3.29Å; W407-N461 PolarHBondContact O-ND2 2.04Å; N461-R463 HydrophobicContact CB-CG 4.38Å; N461-R463 WeakPolarHBondContact ND2-CG 3.16Å; N461-R463 WeakPolarHBondContact O-CG 3.31Å; N461-R463 PolarHBondContact O-N 2.94Å; N461-R463 PolarHBondContact OD1-N 3.48Å
462	L	96.8	Very high	94.6	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	64	16.9	-177.9	-49.4	178.7	0	0	0	114.2	F350 L351 F359 N460 P505 T506 F507 F508	F350-L462 HydrophobicContact CD1-CD1 4.27Å; F350-L462 HydrophobicContact CD1-CD2 4.49Å; F350-L462 HydrophobicContact CE1-CD1 3.87Å; F350-L462 HydrophobicContact CE1-CD2 3.61Å; F350-L462 HydrophobicContact CE1-CG 4.4Å; F350-L462 HydrophobicContact CZ-CD2 3.95Å; L351-L462 HydrophobicContact CD2-CD1 4.09Å; F359-L462 HydrophobicContact CB-CD1 4.38Å; F359-L462 HydrophobicContact CB-CG 4.23Å; F359-L462 HydrophobicContact CD1-CD1 4.13Å; F359-L462 HydrophobicContact CD1-CD2 3.87Å; F359-L462 HydrophobicContact CD1-CG 3.95Å; F359-L462 HydrophobicContact CD2-CD1 4.29Å; F359-L462 HydrophobicContact CE1-CD2 4.15Å; F359-L462 HydrophobicContact CG-CD1 4.01Å; F359-L462 HydrophobicContact CG-CG 4.11Å; N460-L462 VanDerWaalsContact C-N 3.3Å; N460-L462 PolarHBondContact OD1-N 2.92Å; L462-P505 HydrophobicContact CD2-CB 4.34Å; L462-T506 CarbonylContact O-C 3.48Å; L462-T506 WeakPolarHBondContact O-CA 3.39Å; L462-F507 HydrophobicContact CB-CD2 4.1Å; L462-F507 HydrophobicContact CD1-CD2 4.1Å; L462-F507 HydrophobicContact CD2-CD2 4.21Å; L462-F507 HydrophobicContact CD2-CE2 4.3Å; L462-F507 HydrophobicContact CG-CD2 4.36Å; L462-F507 PolarHBondContact O-N 2.87Å; L462-F508 PolarHBondContact O-N 2.97Å
463	R	96.4	Very high	94.6	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.011	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.3	-179	-49.4	-55.7	171.9	103.8	7.3	114.4	N333 D338 W407 F408 N461 R504 F508	N333-R463 VanDerWaalsContact O-CZ 3.27Å; N333-R463 PolarHBondContact O-NH1 2.89Å; N333-R463 PolarHBondContact O-NH2 3.03Å; N333-R463 PolarHBondContact OD1-NH2 3.1Å; N333-R463 VanDerWaalsContact OD1-NH2 3.13Å; D338-R463 IonicContact OD1-NH1 3.91Å; D338-R463 PolarHBondContact OD1-NH1 3.23Å; D338-R463 VanDerWaalsContact OD1-NH1 3.13Å; W407-R463 HydrophobicContact CB-CG 3.83Å; F408-R463 PolarHBondContact O-NH2 3.32Å; N461-R463 HydrophobicContact CB-CG 4.38Å; N461-R463 WeakPolarHBondContact ND2-CG 3.16Å; N461-R463 WeakPolarHBondContact O-CG 3.31Å; N461-R463 PolarHBondContact O-N 2.94Å; N461-R463 PolarHBondContact OD1-N 3.48Å; R463-R504 PolarHBondContact O-NH1 2.88Å; R463-R504 PolarHBondContact O-NH2 3.41Å; R463-F508 CarbonylContact C-O 3.55Å; R463-F508 VanDerWaalsContact CA-O 3.29Å; R463-F508 WeakPolarHBondContact CA-O 3.22Å
464	I	96.6	Very high	94.5	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.7	161.5	-44.7	172.6	0	0	0	108.6	T341 F491 I499 L502 T506 F508 A509 R510	T341-I464 HydrophobicContact CG2-CD1 4.28Å; I464-F491 HydrophobicContact CG2-CZ 3.96Å; I464-I499 HydrophobicContact CD1-CB 3.93Å; I464-I499 HydrophobicContact CD1-CG1 3.79Å; I464-I499 HydrophobicContact CD1-CG2 3.72Å; I464-L502 HydrophobicContact CD1-CD1 3.43Å; I464-L502 VanDerWaalsContact CD1-CD1 3.43Å; I464-L502 HydrophobicContact CG1-CD1 3.62Å; I464-L502 HydrophobicContact CG2-CD1 4.34Å; I464-T506 HydrophobicContact CG1-CG2 3.88Å; I464-F508 PolarHBondContact N-O 2.98Å; I464-A509 HydrophobicContact CB-CB 3.97Å; I464-A509 HydrophobicContact CD1-CB 4.46Å; I464-A509 CarbonylContact O-C 3.54Å; I464-A509 VanDerWaalsContact O-CA 3.23Å; I464-A509 WeakPolarHBondContact O-CA 3.47Å; I464-R510 PolarHBondContact O-N 3.4Å
465	T	96.6	Very high	94.5	Very high	27 Å²	27	44 Å²	44	17%	0.166	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.8	-180	-50.5	0	0	0	0	109.7	W467 P488 R510	T465-W467 VanDerWaalsContact C-N 3.29Å; T465-W467 HydrophobicContact CG2-CD2 4.33Å; T465-W467 HydrophobicContact CG2-CG 4.31Å; T465-W467 HydrophobicContact CG2-CZ2 4.36Å; T465-W467 PolarHBondContact O-N 2.7Å; T465-P488 HydrophobicContact CG2-CB 3.78Å; T465-P488 HydrophobicContact CG2-CG 3.34Å; T465-R510 WeakPolarHBondContact CA-O 3.3Å; T465-R510 HydrophobicContact CG2-CG 4.22Å
466	N	96.7	Very high	94.3	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	20%	0.2	C	C	.	.			trans	-77.4	71.6	-172.4	-164.3	15.9	0	0	0	113.2	N468 N489 D490 F491 R498 R510	N466-N468 PolarHBondContact O-N 2.82Å; N466-N489 PolarHBondContact O-N 2.86Å; N466-D490 PolarHBondContact ND2-O 2.74Å; N466-F491 HydrophobicContact CB-CD2 4.13Å; N466-F491 HydrophobicContact CB-CE1 4.42Å; N466-F491 HydrophobicContact CB-CE2 3.77Å; N466-F491 HydrophobicContact CB-CZ 3.93Å; N466-R498 PolarHBondContact OD1-NH1 3.41Å; N466-R498 PolarHBondContact OD1-NH2 2.6Å; N466-R510 PolarHBondContact N-O 3.18Å
467	W	94.8	Very high	94.1	Very high	110 Å²	110	44.5 Å²	44.5	42%	0.417	21%	0.206	S	C	.	.			trans	-80.1	93.4	-178.5	-75	117.5	0	0	0	113.7	T465 C486 S487 P488	T465-W467 VanDerWaalsContact C-N 3.29Å; T465-W467 HydrophobicContact CG2-CD2 4.33Å; T465-W467 HydrophobicContact CG2-CG 4.31Å; T465-W467 HydrophobicContact CG2-CZ2 4.36Å; T465-W467 PolarHBondContact O-N 2.7Å; W467-C486 HydrophobicContact CH2-CB 4.37Å; W467-C486 HydrophobicContact CZ3-CB 3.74Å; W467-S487 VanDerWaalsContact CZ3-C 3.46Å; W467-P488 HydrophobicContact CD2-CG 4.32Å; W467-P488 HydrophobicContact CE3-CG 4.28Å; W467-P488 HydrophobicContact CH2-CG 4.04Å; W467-P488 HydrophobicContact CZ2-CG 4.07Å; W467-P488 HydrophobicContact CZ3-CG 4.14Å
468	N	94.9	Very high	94	Very high	65 Å²	65	49.7 Å²	49.7	35%	0.348	23%	0.228	S	C	.	.			trans	-100.9	93.8	162.6	-179.3	-2.8	0	0	0	111.1	N466 K470 L471 G472 N489	N466-N468 PolarHBondContact O-N 2.82Å; N468-K470 PolarHBondContact O-N 3.33Å; N468-K470 VanDerWaalsContact O-N 3.13Å; N468-K470 WeakPolarHBondContact OD1-CB 3.36Å; N468-K470 PolarHBondContact OD1-N 2.89Å; N468-K470 VanDerWaalsContact OD1-N 3.17Å; N468-L471 PolarHBondContact O-N 2.84Å; N468-G472 PolarHBondContact O-N 3.15Å; N468-N489 WeakPolarHBondContact CB-OD1 3.35Å; N468-N489 PolarHBondContact O-OD1 3.45Å
469	R	92.6	Very high	93.8	Very high	146 Å²	146	55.8 Å²	55.8	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-62.2	-20.5	-176.4	-64.5	-175.8	-177.4	-114.5	-2.2	114.5	L471 C473	R469-L471 PolarHBondContact O-N 2.81Å; R469-C473 WeakPolarHBondContact O-CB 3.43Å
470	K	92.2	Very high	93.9	Very high	176 Å²	176	55.1 Å²	55.1	77%	0.765	25%	0.251	S	S	*	.	H	α-helix	trans	-68.4	-26.4	175.4	-67.2	-171.2	176.8	-173.3	0	112.3	N468 K474	N468-K470 PolarHBondContact O-N 3.33Å; N468-K470 VanDerWaalsContact O-N 3.13Å; N468-K470 WeakPolarHBondContact OD1-CB 3.36Å; N468-K470 PolarHBondContact OD1-N 2.89Å; N468-K470 VanDerWaalsContact OD1-N 3.17Å; K470-K474 VanDerWaalsContact O-CE 3.31Å; K470-K474 WeakPolarHBondContact O-CE 3.46Å; K470-K474 PolarHBondContact O-NZ 2.91Å
471	L	92.9	Very high	94	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.152	25%	0.25	C	S	.	.	H	α-helix	trans	-109.3	-47.9	-177.8	-60.6	-178.4	0	0	0	112.1	N468 R469 C473 K474	N468-L471 PolarHBondContact O-N 2.84Å; R469-L471 PolarHBondContact O-N 2.81Å; L471-C473 PolarHBondContact O-N 3.1Å; L471-K474 WeakPolarHBondContact O-CE 3.41Å; L471-K474 VanDerWaalsContact O-CG 3.3Å; L471-K474 WeakPolarHBondContact O-CG 3.02Å
472	G	93.6	Very high	94.1	Very high	1 Å²	1	56 Å²	56	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-75.2	-14.1	-174	0	0	0	0	0	117.3	N468 Q476 C486 S487	N468-G472 PolarHBondContact O-N 3.15Å; G472-Q476 PolarHBondContact O-NE2 3.15Å; G472-Q476 VanDerWaalsContact O-NE2 3.08Å; G472-C486 CarbonylContact O-C 3.58Å; G472-C486 VanDerWaalsContact O-CA 3.31Å; G472-C486 WeakPolarHBondContact O-CA 3.35Å; G472-S487 VanDerWaalsContact CA-O 3.27Å; G472-S487 WeakPolarHBondContact CA-O 3.4Å; G472-S487 PolarHBondContact O-N 3.35Å
473	C	95.4	Very high	94.1	Very high	42 Å²	42	58.4 Å²	58.4	28%	0.284	27%	0.265	S	S	.	.			trans	-105.5	78.3	179.2	-62.5	0	0	0	0	111.1	R469 L471 C486	R469-C473 WeakPolarHBondContact O-CB 3.43Å; L471-C473 PolarHBondContact O-N 3.1Å; C473-C486 HydrophobicContact CB-CB 4.05Å; C473-C486 WeakPolarHBondContact CB-SG 3.31Å; C473-C486 WeakPolarHBondContact SG-CB 3.47Å; C473-C486 CovalentContact SG-SG 2.04Å; C473-C486 PolarHBondContact SG-SG 2.95Å
474	K	92.3	Very high	94.1	Very high	105 Å²	105	61.6 Å²	61.6	46%	0.457	29%	0.287	S	S	.	.	S	Bend	trans	-112.4	4.9	177.3	-58.1	-62.4	-177.7	-175	0	113.6	K470 L471 Q476 P658	K470-K474 VanDerWaalsContact O-CE 3.31Å; K470-K474 WeakPolarHBondContact O-CE 3.46Å; K470-K474 PolarHBondContact O-NZ 2.91Å; L471-K474 WeakPolarHBondContact O-CE 3.41Å; L471-K474 VanDerWaalsContact O-CG 3.3Å; L471-K474 WeakPolarHBondContact O-CG 3.02Å; K474-Q476 PolarHBondContact O-N 3.46Å; K474-P658 HydrophobicContact CB-CG 4.28Å; K474-P658 HydrophobicContact CG-CB 4.23Å; K474-P658 HydrophobicContact CG-CG 3.96Å
475	C	92.3	Very high	93.9	Very high	23 Å²	23	61.4 Å²	61.4	16%	0.155	29%	0.287	C	S	.	.			trans	57	34.9	-172.6	-164	0	0	0	0	112.1	Y477 K478 C484	C475-Y477 PolarHBondContact O-N 3.43Å; C475-Y477 VanDerWaalsContact O-N 3.09Å; C475-K478 PolarHBondContact O-N 3.34Å; C475-K478 WeakPolarHBondContact SG-CE 3.49Å; C475-K478 WeakPolarHBondContact SG-CG 3.46Å; C475-C484 HydrophobicContact CB-CB 3.75Å; C475-C484 WeakPolarHBondContact CB-SG 3.28Å; C475-C484 WeakPolarHBondContact SG-CA 3.33Å; C475-C484 WeakPolarHBondContact SG-CB 3.48Å; C475-C484 CovalentContact SG-SG 2.04Å; C475-C484 PolarHBondContact SG-SG 3.18Å
476	Q	87.6	Confident	93.9	Very high	52 Å²	52	61.9 Å²	61.9	24%	0.243	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.3	-175.5	59.7	-86.6	20.8	0	0	114.6	G472 K474 H479	G472-Q476 PolarHBondContact O-NE2 3.15Å; G472-Q476 VanDerWaalsContact O-NE2 3.08Å; K474-Q476 PolarHBondContact O-N 3.46Å; Q476-H479 PolarHBondContact O-CE1 2.73Å; Q476-H479 VanDerWaalsContact O-CE1 3.23Å; Q476-H479 PolarHBondContact O-ND1 3.22Å
477	Y	91.3	Very high	93.8	Very high	44 Å²	44	62.2 Å²	62.2	17%	0.173	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	9.2	-174.8	-55	-61	0	0	0	115	W304 C475 H479 I480 V481 S487	W304-Y477 HydrophobicContact CB-CD1 4.12Å; W304-Y477 HydrophobicContact CB-CE1 4.37Å; W304-Y477 HydrophobicContact CB-CG 4.32Å; W304-Y477 AromaticContact CD1-CE2 3.65Å; W304-Y477 AromaticContact CD1-CZ 3.65Å; W304-Y477 HydrophobicContact CD2-CD1 4.37Å; W304-Y477 AromaticContact CD2-CD2 3.45Å; W304-Y477 HydrophobicContact CD2-CD2 3.45Å; W304-Y477 VanDerWaalsContact CD2-CD2 3.45Å; W304-Y477 AromaticContact CD2-CE2 3.85Å; W304-Y477 HydrophobicContact CD2-CE2 3.85Å; W304-Y477 AromaticContact CD2-CG 3.76Å; W304-Y477 HydrophobicContact CD2-CG 3.76Å; W304-Y477 AromaticContact CE2-CD2 3.52Å; W304-Y477 AromaticContact CE2-CE2 3.56Å; W304-Y477 AromaticContact CE3-CD2 3.86Å; W304-Y477 HydrophobicContact CE3-CD2 3.86Å; W304-Y477 AromaticContact CE3-CG 3.99Å; W304-Y477 HydrophobicContact CE3-CG 3.99Å; W304-Y477 AromaticContact CG-CD1 4Å; W304-Y477 HydrophobicContact CG-CD1 4Å; W304-Y477 AromaticContact CG-CD2 3.84Å; W304-Y477 HydrophobicContact CG-CD2 3.84Å; W304-Y477 HydrophobicContact CG-CE1 4.09Å; W304-Y477 AromaticContact CG-CE2 3.93Å; W304-Y477 HydrophobicContact CG-CE2 3.93Å; W304-Y477 AromaticContact CG-CG 3.88Å; W304-Y477 HydrophobicContact CG-CG 3.88Å; W304-Y477 HydrophobicContact CH2-CD2 4.4Å; W304-Y477 HydrophobicContact CZ2-CD2 4.01Å; W304-Y477 HydrophobicContact CZ2-CE2 4.19Å; W304-Y477 HydrophobicContact CZ3-CD2 4.32Å; W304-Y477 AromaticContact NE1-CD2 3.83Å; W304-Y477 AromaticContact NE1-CE2 3.39Å; W304-Y477 AromaticContact NE1-CZ 3.83Å; C475-Y477 PolarHBondContact O-N 3.43Å; C475-Y477 VanDerWaalsContact O-N 3.09Å; Y477-H479 PolarHBondContact O-N 2.88Å; Y477-I480 HydrophobicContact CD1-CD1 4.31Å; Y477-I480 PolarHBondContact O-N 3.21Å; Y477-V481 PolarHBondContact O-N 3.45Å; Y477-S487 VanDerWaalsContact OH-CB 3.29Å; Y477-S487 WeakPolarHBondContact OH-CB 3.43Å; Y477-S487 PolarHBondContact OH-OG 2.58Å
478	K	91.7	Very high	93.9	Very high	133 Å²	133	57.2 Å²	57.2	58%	0.578	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.2	-179.2	-79	-172	178.4	-170.5	0	115.6	H386 C475 I480	H386-K478 PolarHBondContact NE2-O 3.13Å; C475-K478 PolarHBondContact O-N 3.34Å; C475-K478 WeakPolarHBondContact SG-CE 3.49Å; C475-K478 WeakPolarHBondContact SG-CG 3.46Å; K478-I480 VanDerWaalsContact C-N 3.32Å
479	H	90.8	Very high	94	Very high	137 Å²	137	54.6 Å²	54.6	63%	0.634	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.4	178.9	60	-86.5	0	0	0	113	H386 Q476 Y477	H386-H479 PolarHBondContact CE1-O 2.95Å; H386-H479 PolarHBondContact ND1-O 3.32Å; H386-H479 VanDerWaalsContact ND1-O 3.15Å; H386-H479 PolarHBondContact NE2-O 3.11Å; Q476-H479 PolarHBondContact O-CE1 2.73Å; Q476-H479 VanDerWaalsContact O-CE1 3.23Å; Q476-H479 PolarHBondContact O-ND1 3.22Å; Y477-H479 PolarHBondContact O-N 2.88Å
480	I	95.3	Very high	94.3	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.169	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-31.5	-179.9	-51.3	-176.1	0	0	0	111.1	I303 H386 M387 Y477 K478	I303-I480 HydrophobicContact CB-CG2 3.74Å; I303-I480 HydrophobicContact CD1-CG2 4.11Å; I303-I480 HydrophobicContact CG1-CG2 4.28Å; I303-I480 HydrophobicContact CG2-CG2 4.38Å; H386-I480 WeakPolarHBondContact CA-O 3.38Å; H386-I480 WeakPolarHBondContact CE1-CA 3.31Å; H386-I480 PolarHBondContact CE1-N 2.84Å; H386-I480 PolarHBondContact CE1-O 3.19Å; H386-I480 VanDerWaalsContact ND1-C 3.32Å; H386-I480 PolarHBondContact ND1-O 2.99Å; M387-I480 PolarHBondContact N-O 3Å; Y477-I480 HydrophobicContact CD1-CD1 4.31Å; Y477-I480 PolarHBondContact O-N 3.21Å; K478-I480 VanDerWaalsContact C-N 3.32Å
481	V	97.1	Very high	94.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-142.4	146.8	-175.4	-49.3	0	0	0	0	112.2	W304 H386 M387 L437 Y477 W483	W304-V481 HydrophobicContact CE3-CG1 4.03Å; W304-V481 HydrophobicContact CE3-CG2 4.01Å; W304-V481 HydrophobicContact CZ3-CG1 4.5Å; W304-V481 HydrophobicContact CZ3-CG2 3.91Å; W304-V481 WeakPolarHBondContact O-CG1 3.24Å; H386-V481 PolarHBondContact NE2-N 2.86Å; M387-V481 HydrophobicContact CB-CB 3.9Å; M387-V481 HydrophobicContact CB-CG1 3.64Å; M387-V481 HydrophobicContact CG-CB 4.49Å; M387-V481 HydrophobicContact CG-CG1 4.39Å; L437-V481 HydrophobicContact CD1-CB 4.47Å; L437-V481 HydrophobicContact CD1-CG1 4.4Å; Y477-V481 PolarHBondContact O-N 3.45Å; V481-W483 HydrophobicContact CG2-CB 4.18Å; V481-W483 PolarHBondContact O-N 3.4Å
482	D	97.7	Very high	94.7	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.144	20%	0.204	C	C	.	.	S	Bend	trans	-75.9	38.5	174.1	-78	-27.5	0	0	0	113.7	R181 M387 W388 R389	R181-D482 IonicContact CZ-OD1 3.29Å; R181-D482 IonicContact CZ-OD2 3.04Å; R181-D482 IonicContact NH1-OD1 2.94Å; R181-D482 PolarHBondContact NH1-OD1 3.43Å; R181-D482 IonicContact NH1-OD2 3.52Å; R181-D482 VanDerWaalsContact NH2-CG 3.33Å; R181-D482 IonicContact NH2-OD1 2.71Å; R181-D482 PolarHBondContact NH2-OD1 3.06Å; R181-D482 VanDerWaalsContact NH2-OD1 3.16Å; R181-D482 IonicContact NH2-OD2 3.03Å; R181-D482 PolarHBondContact NH2-OD2 3.42Å; M387-D482 PolarHBondContact O-N 3.03Å; W388-D482 WeakPolarHBondContact CA-OD2 3.13Å; R389-D482 HydrophobicContact CB-CB 3.53Å; R389-D482 PolarHBondContact N-OD2 2.56Å; R389-D482 PolarHBondContact NH1-O 2.72Å
483	W	97.4	Very high	94.8	Very high	55 Å²	55	42 Å²	42	21%	0.208	21%	0.214	C	C	.	.	S	Bend	trans	-151.3	167.9	-174.9	-154.2	-109.4	0	0	0	113.5	K373 R378 F380 L437 V481	K373-W483 PolarHBondContact O-NE1 3.22Å; R378-W483 HydrophobicContact CG-CH2 4.18Å; R378-W483 HydrophobicContact CG-CZ3 4.11Å; F380-W483 HydrophobicContact CZ-CB 4.48Å; F380-W483 HydrophobicContact CZ-CD2 4.28Å; F380-W483 AromaticContact CZ-CE3 3.95Å; F380-W483 HydrophobicContact CZ-CE3 3.95Å; L437-W483 HydrophobicContact CD2-CB 3.53Å; L437-W483 HydrophobicContact CD2-CD2 4.09Å; L437-W483 HydrophobicContact CD2-CG 3.38Å; V481-W483 HydrophobicContact CG2-CB 4.18Å; V481-W483 PolarHBondContact O-N 3.4Å
484	C	96	Very high	94.7	Very high	70 Å²	70	46.2 Å²	46.2	47%	0.473	23%	0.229	S	C	.	.			trans	-103.3	108.3	175.1	-77.9	0	0	0	0	113.1	C475	C475-C484 HydrophobicContact CB-CB 3.75Å; C475-C484 WeakPolarHBondContact CB-SG 3.28Å; C475-C484 WeakPolarHBondContact SG-CA 3.33Å; C475-C484 WeakPolarHBondContact SG-CB 3.48Å; C475-C484 CovalentContact SG-SG 2.04Å; C475-C484 PolarHBondContact SG-SG 3.18Å
485	G	93.2	Very high	94.7	Very high	6 Å²	6	42.7 Å²	42.7	6%	0.062	22%	0.215	C	C	.	.			trans	-87	167.1	174.5	0	0	0	0	0	115.8
486	C	95.4	Very high	94.6	Very high	37 Å²	37	42.2 Å²	42.2	25%	0.25	21%	0.211	C	C	.	.			trans	-123.1	158.5	161.3	-60	0	0	0	0	109.1	W467 G472 C473	W467-C486 HydrophobicContact CH2-CB 4.37Å; W467-C486 HydrophobicContact CZ3-CB 3.74Å; G472-C486 CarbonylContact O-C 3.58Å; G472-C486 VanDerWaalsContact O-CA 3.31Å; G472-C486 WeakPolarHBondContact O-CA 3.35Å; C473-C486 HydrophobicContact CB-CB 4.05Å; C473-C486 WeakPolarHBondContact CB-SG 3.31Å; C473-C486 WeakPolarHBondContact SG-CB 3.47Å; C473-C486 CovalentContact SG-SG 2.04Å; C473-C486 PolarHBondContact SG-SG 2.95Å
487	S	95.4	Very high	94.6	Very high	14 Å²	14	43.9 Å²	43.9	10%	0.098	22%	0.221	C	C	.	.			trans	-136.3	148.1	171.4	-167.3	0	0	0	0	111	W467 G472 Y477	W467-S487 VanDerWaalsContact CZ3-C 3.46Å; G472-S487 VanDerWaalsContact CA-O 3.27Å; G472-S487 WeakPolarHBondContact CA-O 3.4Å; G472-S487 PolarHBondContact O-N 3.35Å; Y477-S487 VanDerWaalsContact OH-CB 3.29Å; Y477-S487 WeakPolarHBondContact OH-CB 3.43Å; Y477-S487 PolarHBondContact OH-OG 2.58Å
488	P	97.1	Very high	94.3	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.039	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-63.2	147.8	175.3	-21.2	33.8	0	0	0	112.3	T465 W467 K511 K659	T465-P488 HydrophobicContact CG2-CB 3.78Å; T465-P488 HydrophobicContact CG2-CG 3.34Å; W467-P488 HydrophobicContact CD2-CG 4.32Å; W467-P488 HydrophobicContact CE3-CG 4.28Å; W467-P488 HydrophobicContact CH2-CG 4.04Å; W467-P488 HydrophobicContact CZ2-CG 4.07Å; W467-P488 HydrophobicContact CZ3-CG 4.14Å; P488-K511 HydrophobicContact CB-CG 4.34Å; P488-K659 WeakPolarHBondContact O-CD 3.25Å; P488-K659 PolarHBondContact O-NZ 3.46Å
489	N	97.8	Very high	93.9	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-71.5	160.5	167.6	-85.7	90.9	0	0	0	110.9	N466 N468 K511 K659 E660	N466-N489 PolarHBondContact O-N 2.86Å; N468-N489 WeakPolarHBondContact CB-OD1 3.35Å; N468-N489 PolarHBondContact O-OD1 3.45Å; N489-K511 PolarHBondContact O-N 3.49Å; N489-K659 WeakPolarHBondContact ND2-CG 3.37Å; N489-K659 PolarHBondContact ND2-O 2.85Å; N489-E660 VanDerWaalsContact CA-OE1 3.23Å; N489-E660 WeakPolarHBondContact CA-OE1 3.39Å; N489-E660 PolarHBondContact ND2-OE1 2.74Å
490	D	98.2	Very high	93.2	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-83.8	146.8	172.6	-65.1	-77.6	0	0	0	109.9	N466 K511 E513 V516 K659 E660	N466-D490 PolarHBondContact ND2-O 2.74Å; D490-K511 CarbonylContact C-O 3.58Å; D490-K511 VanDerWaalsContact CA-O 3.28Å; D490-K511 WeakPolarHBondContact CA-O 3.49Å; D490-K511 VanDerWaalsContact CG-NZ 3.33Å; D490-K511 WeakPolarHBondContact OD1-CB 3.31Å; D490-K511 IonicContact OD1-NZ 3.18Å; D490-K511 PolarHBondContact OD1-NZ 2.8Å; D490-K511 IonicContact OD2-NZ 2.66Å; D490-K511 PolarHBondContact OD2-NZ 3.49Å; D490-E513 WeakPolarHBondContact OD1-CG 3.25Å; D490-V516 HydrophobicContact CB-CG1 4.04Å; D490-K659 IonicContact OD2-NZ 2.75Å; D490-K659 PolarHBondContact OD2-NZ 2.76Å; D490-E660 PolarHBondContact N-OE1 3.12Å
491	F	97.6	Very high	92.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-72	147.7	-179.4	-86.8	-87.6	0	0	0	111.5	I464 N466 D495 L496 I499 A509 R510 K511 F512	I464-F491 HydrophobicContact CG2-CZ 3.96Å; N466-F491 HydrophobicContact CB-CD2 4.13Å; N466-F491 HydrophobicContact CB-CE1 4.42Å; N466-F491 HydrophobicContact CB-CE2 3.77Å; N466-F491 HydrophobicContact CB-CZ 3.93Å; F491-D495 HydrophobicContact CD1-CB 3.55Å; F491-D495 HydrophobicContact CE1-CB 4.02Å; F491-L496 HydrophobicContact CD1-CD2 4.46Å; F491-I499 HydrophobicContact CD1-CD1 4.2Å; F491-I499 HydrophobicContact CE1-CD1 3.84Å; F491-I499 HydrophobicContact CE1-CG1 3.93Å; F491-I499 HydrophobicContact CZ-CD1 4.15Å; F491-I499 HydrophobicContact CZ-CG1 4.32Å; F491-A509 HydrophobicContact CE2-CB 3.79Å; F491-A509 HydrophobicContact CZ-CB 4.08Å; F491-R510 WeakPolarHBondContact CE2-O 3.28Å; F491-K511 WeakPolarHBondContact CD2-O 3.27Å; F491-K511 PolarHBondContact N-O 3.05Å; F491-F512 HydrophobicContact CB-CD1 3.82Å; F491-F512 HydrophobicContact CB-CE1 3.48Å; F491-F512 VanDerWaalsContact CB-CE1 3.48Å; F491-F512 HydrophobicContact CB-CZ 4.02Å; F491-F512 HydrophobicContact CD2-CD2 4.47Å; F491-F512 HydrophobicContact CD2-CE1 4.1Å; F491-F512 AromaticContact CD2-CE2 3.95Å; F491-F512 HydrophobicContact CD2-CE2 3.95Å; F491-F512 AromaticContact CD2-CZ 3.74Å; F491-F512 HydrophobicContact CD2-CZ 3.74Å; F491-F512 HydrophobicContact CE2-CE2 4.47Å; F491-F512 HydrophobicContact CE2-CZ 4.4Å; F491-F512 AromaticContact CG-CE1 3.93Å; F491-F512 HydrophobicContact CG-CE1 3.93Å; F491-F512 AromaticContact CG-CZ 3.93Å; F491-F512 HydrophobicContact CG-CZ 3.93Å
492	K	96.3	Very high	91.3	Very high	49 Å²	49	48.7 Å²	48.7	21%	0.213	24%	0.243	C	C	.	.			trans	-128.3	165.1	173.7	-57.1	-66.5	178.6	160.7	0	109	Q494 D495 V516 N517	K492-Q494 VanDerWaalsContact C-N 3.28Å; K492-Q494 VanDerWaalsContact CB-NE2 3.3Å; K492-Q494 PolarHBondContact O-N 3.03Å; K492-D495 WeakPolarHBondContact O-CB 3.05Å; K492-D495 PolarHBondContact O-N 2.88Å; K492-V516 VanDerWaalsContact NZ-CG1 3.28Å; K492-V516 PolarHBondContact NZ-O 3.45Å; K492-N517 HydrophobicContact CD-CB 3.63Å
493	P	95.8	Very high	90.3	Very high	34 Å²	34	53.7 Å²	53.7	22%	0.221	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-57.1	-38.9	-173	-25.2	35	0	0	0	113.4	D495 L496 N517 E519 I523	P493-D495 PolarHBondContact O-N 3.4Å; P493-L496 WeakPolarHBondContact O-CB 3.3Å; P493-L496 PolarHBondContact O-N 2.9Å; P493-N517 WeakPolarHBondContact CD-OD1 3.05Å; P493-E519 HydrophobicContact CG-CB 4.21Å; P493-E519 HydrophobicContact CG-CG 3.99Å; P493-E519 VanDerWaalsContact CG-OE2 3.24Å; P493-E519 WeakPolarHBondContact CG-OE2 3.31Å; P493-I523 HydrophobicContact CB-CD1 3.95Å; P493-I523 HydrophobicContact CG-CD1 4.39Å
494	Q	93.3	Very high	89.7	Confident	130 Å²	130	55.4 Å²	55.4	61%	0.607	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.9	-22	176.7	68.4	-82.6	8	0	0	114.5	K492	K492-Q494 VanDerWaalsContact C-N 3.28Å; K492-Q494 VanDerWaalsContact CB-NE2 3.3Å; K492-Q494 PolarHBondContact O-N 3.03Å
495	D	91.9	Very high	89.4	Confident	31 Å²	31	53.2 Å²	53.2	17%	0.166	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-81.5	-19.9	176.6	-75.7	-61.3	0	0	0	112.7	F491 K492 P493 I497 R498	F491-D495 HydrophobicContact CD1-CB 3.55Å; F491-D495 HydrophobicContact CE1-CB 4.02Å; K492-D495 WeakPolarHBondContact O-CB 3.05Å; K492-D495 PolarHBondContact O-N 2.88Å; P493-D495 PolarHBondContact O-N 3.4Å; D495-I497 PolarHBondContact O-N 2.96Å; D495-R498 VanDerWaalsContact O-CB 3.23Å; D495-R498 WeakPolarHBondContact O-CB 3.21Å; D495-R498 PolarHBondContact O-N 2.04Å; D495-R498 IonicContact OD1-CZ 3.54Å; D495-R498 IonicContact OD1-NH1 2.69Å; D495-R498 PolarHBondContact OD1-NH1 2.87Å
496	L	89.9	Confident	89.4	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.063	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.9	-177.1	-62	-178.4	0	0	0	113.1	F491 P493 R498 I499 Q500 F512 A520 I523	F491-L496 HydrophobicContact CD1-CD2 4.46Å; P493-L496 WeakPolarHBondContact O-CB 3.3Å; P493-L496 PolarHBondContact O-N 2.9Å; L496-R498 PolarHBondContact O-N 3.37Å; L496-I499 HydrophobicContact CD2-CD1 3.74Å; L496-I499 WeakPolarHBondContact O-CA 3.29Å; L496-I499 VanDerWaalsContact O-CB 3.29Å; L496-I499 WeakPolarHBondContact O-CB 3.45Å; L496-I499 PolarHBondContact O-N 2.88Å; L496-Q500 PolarHBondContact O-N 3.03Å; L496-F512 HydrophobicContact CD2-CE1 4.41Å; L496-A520 HydrophobicContact CD1-CB 4.18Å; L496-A520 HydrophobicContact CD2-CB 4.25Å; L496-A520 HydrophobicContact CG-CB 4.35Å; L496-I523 HydrophobicContact CD1-CB 3.68Å; L496-I523 HydrophobicContact CD1-CD1 4.04Å; L496-I523 HydrophobicContact CD1-CG1 4.48Å; L496-I523 HydrophobicContact CD1-CG2 3.53Å
497	I	87.9	Confident	89.5	Confident	88 Å²	88	52.3 Å²	52.3	45%	0.451	26%	0.257	S	S	.	.	H	α-helix	trans	-55.4	-35.7	171.6	-61.2	172.1	0	0	0	110.6	D495 I499 Q500 Q501	D495-I497 PolarHBondContact O-N 2.96Å; I497-I499 PolarHBondContact O-N 2.87Å; I497-Q500 PolarHBondContact O-N 3.16Å; I497-Q501 HydrophobicContact CG2-CG 4.22Å; I497-Q501 WeakPolarHBondContact O-CB 3.39Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 3.19Å; I497-Q501 VanDerWaalsContact O-N 3.08Å
498	R	84.3	Confident	89.6	Confident	107 Å²	107	51.9 Å²	51.9	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-73.8	-12.1	177.9	-56.2	161.6	54.3	-151.7	-7.7	113.4	N466 D495 L496 L502	N466-R498 PolarHBondContact OD1-NH1 3.41Å; N466-R498 PolarHBondContact OD1-NH2 2.6Å; D495-R498 VanDerWaalsContact O-CB 3.23Å; D495-R498 WeakPolarHBondContact O-CB 3.21Å; D495-R498 PolarHBondContact O-N 2.04Å; D495-R498 IonicContact OD1-CZ 3.54Å; D495-R498 IonicContact OD1-NH1 2.69Å; D495-R498 PolarHBondContact OD1-NH1 2.87Å; L496-R498 PolarHBondContact O-N 3.37Å; R498-L502 WeakPolarHBondContact O-CD1 3.29Å; R498-L502 WeakPolarHBondContact O-CG 3.33Å
499	I	83.9	Confident	89.7	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-83.5	-45.5	170.8	-58	-174.2	0	0	0	109.3	T341 I464 F491 L496 I497 Q501 A509 F512 L524	T341-I499 HydrophobicContact CG2-CD1 4.05Å; T341-I499 HydrophobicContact CG2-CG2 3.58Å; I464-I499 HydrophobicContact CD1-CB 3.93Å; I464-I499 HydrophobicContact CD1-CG1 3.79Å; I464-I499 HydrophobicContact CD1-CG2 3.72Å; F491-I499 HydrophobicContact CD1-CD1 4.2Å; F491-I499 HydrophobicContact CE1-CD1 3.84Å; F491-I499 HydrophobicContact CE1-CG1 3.93Å; F491-I499 HydrophobicContact CZ-CD1 4.15Å; F491-I499 HydrophobicContact CZ-CG1 4.32Å; L496-I499 HydrophobicContact CD2-CD1 3.74Å; L496-I499 WeakPolarHBondContact O-CA 3.29Å; L496-I499 VanDerWaalsContact O-CB 3.29Å; L496-I499 WeakPolarHBondContact O-CB 3.45Å; L496-I499 PolarHBondContact O-N 2.88Å; I497-I499 PolarHBondContact O-N 2.87Å; I499-Q501 PolarHBondContact O-N 3.2Å; I499-A509 HydrophobicContact CD1-CB 4.05Å; I499-F512 HydrophobicContact CD1-CZ 4.44Å; I499-L524 HydrophobicContact CD1-CD2 4.35Å
500	Q	75.6	Confident	89.7	Confident	121 Å²	121	52.4 Å²	52.4	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-70.1	-30	-177.6	-66.8	176.6	-33.9	0	0	113.6	L496 I497 L502 H527	L496-Q500 PolarHBondContact O-N 3.03Å; I497-Q500 PolarHBondContact O-N 3.16Å; Q500-L502 PolarHBondContact O-N 3.45Å; Q500-H527 PolarHBondContact NE2-NE2 2.93Å
501	Q	76.6	Confident	89.7	Confident	147 Å²	147	53 Å²	53	69%	0.687	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	6.3	-175.6	-70.3	178.4	-14	0	0	115.4	I497 I499	I497-Q501 HydrophobicContact CG2-CG 4.22Å; I497-Q501 WeakPolarHBondContact O-CB 3.39Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 3.19Å; I497-Q501 VanDerWaalsContact O-N 3.08Å; I499-Q501 PolarHBondContact O-N 3.2Å
502	L	76.8	Confident	89.7	Confident	55 Å²	55	53 Å²	53	29%	0.288	26%	0.257	S	S	.	.			trans	-84.5	124.5	-177	-76.9	168.8	0	0	0	113.2	I464 R498 Q500 T506	I464-L502 HydrophobicContact CD1-CD1 3.43Å; I464-L502 VanDerWaalsContact CD1-CD1 3.43Å; I464-L502 HydrophobicContact CG1-CD1 3.62Å; I464-L502 HydrophobicContact CG2-CD1 4.34Å; R498-L502 WeakPolarHBondContact O-CD1 3.29Å; R498-L502 WeakPolarHBondContact O-CG 3.33Å; Q500-L502 PolarHBondContact O-N 3.45Å; L502-T506 HydrophobicContact CD1-CG2 4.46Å
503	T	75.4	Confident	89.8	Confident	132 Å²	132	52.6 Å²	52.6	81%	0.81	26%	0.256	S	S	*	.			trans	-81.3	-18.1	174.8	54.1	0	0	0	0	114
504	R	85.2	Confident	89.9	Confident	92 Å²	92	51.1 Å²	51.1	35%	0.347	25%	0.246	S	C	.	.	S	Bend	trans	-88.2	140.1	175.9	71.8	-179.8	-179.9	104	10.2	110.5	N460 R463 T506	N460-R504 PolarHBondContact OD1-NH1 3.21Å; R463-R504 PolarHBondContact O-NH1 2.88Å; R463-R504 PolarHBondContact O-NH2 3.41Å; R504-T506 HydrophobicContact CG-CG2 4.27Å; R504-T506 PolarHBondContact O-N 3.11Å
505	P	89.8	Confident	90.1	Very high	24 Å²	24	45.7 Å²	45.7	16%	0.156	22%	0.222	C	C	.	.			trans	-57.1	124.5	175.9	-28.6	37	0	0	0	113	V221 F350 N460 L462 F507	V221-P505 HydrophobicContact CG1-CG 3.77Å; F350-P505 HydrophobicContact CD2-CB 4.33Å; F350-P505 HydrophobicContact CE2-CB 3.78Å; F350-P505 HydrophobicContact CE2-CG 3.82Å; F350-P505 HydrophobicContact CZ-CB 4Å; F350-P505 HydrophobicContact CZ-CG 4.34Å; N460-P505 PolarHBondContact ND2-O 2.95Å; L462-P505 HydrophobicContact CD2-CB 4.34Å; P505-F507 HydrophobicContact CB-CE2 4Å
506	T	93.5	Very high	90.4	Very high	9 Å²	9	45 Å²	45	6%	0.055	22%	0.218	C	C	.	.			trans	-144	135.2	173.6	52.3	0	0	0	0	109.7	T341 R342 L462 I464 L502 R504	T341-T506 PolarHBondContact OG1-O 3.06Å; R342-T506 WeakPolarHBondContact CG-O 3.32Å; L462-T506 CarbonylContact O-C 3.48Å; L462-T506 WeakPolarHBondContact O-CA 3.39Å; I464-T506 HydrophobicContact CG1-CG2 3.88Å; L502-T506 HydrophobicContact CD1-CG2 4.46Å; R504-T506 HydrophobicContact CG-CG2 4.27Å; R504-T506 PolarHBondContact O-N 3.11Å
507	F	96.9	Very high	90.8	Very high	14 Å²	14	45.1 Å²	45.1	6%	0.061	22%	0.219	C	C	.	.			trans	-120.3	-14.9	-172.7	-66.2	-89.8	0	0	0	113.1	P340 T341 R342 E346 L347 F350 L462 P505	P340-F507 CarbonylContact C-O 3.55Å; P340-F507 WeakPolarHBondContact CA-O 3.45Å; T341-F507 PolarHBondContact N-O 2.56Å; T341-F507 WeakPolarHBondContact OG1-CA 3.21Å; T341-F507 PolarHBondContact OG1-O 3.32Å; R342-F507 HydrophobicContact CB-CD1 3.63Å; R342-F507 HydrophobicContact CB-CE1 4.06Å; R342-F507 HydrophobicContact CB-CG 4.49Å; R342-F507 HydrophobicContact CG-CD1 4.08Å; R342-F507 HydrophobicContact CG-CE1 4.28Å; E346-F507 HydrophobicContact CB-CE1 3.93Å; E346-F507 WeakPolarHBondContact O-CE1 3.44Å; L347-F507 HydrophobicContact CB-CD1 3.74Å; L347-F507 HydrophobicContact CB-CE1 4.24Å; L347-F507 HydrophobicContact CB-CG 4.39Å; L347-F507 HydrophobicContact CD1-CB 3.84Å; L347-F507 HydrophobicContact CD1-CD1 3.91Å; L347-F507 HydrophobicContact CD1-CD2 4.19Å; L347-F507 HydrophobicContact CD1-CG 3.7Å; L347-F507 HydrophobicContact CG-CD1 4.44Å; F350-F507 HydrophobicContact CB-CE1 4.2Å; F350-F507 HydrophobicContact CB-CE2 3.99Å; F350-F507 HydrophobicContact CB-CZ 3.43Å; F350-F507 VanDerWaalsContact CB-CZ 3.43Å; F350-F507 HydrophobicContact CD1-CD2 4.43Å; F350-F507 AromaticContact CD1-CE2 3.54Å; F350-F507 HydrophobicContact CD1-CE2 3.54Å; F350-F507 AromaticContact CD1-CZ 3.94Å; F350-F507 HydrophobicContact CD1-CZ 3.94Å; F350-F507 HydrophobicContact CD2-CE2 4.17Å; F350-F507 HydrophobicContact CD2-CZ 4.11Å; F350-F507 HydrophobicContact CE1-CE2 4.07Å; F350-F507 AromaticContact CG-CE2 3.61Å; F350-F507 HydrophobicContact CG-CE2 3.61Å; F350-F507 AromaticContact CG-CZ 3.55Å; F350-F507 HydrophobicContact CG-CZ 3.55Å; L462-F507 HydrophobicContact CB-CD2 4.1Å; L462-F507 HydrophobicContact CD1-CD2 4.1Å; L462-F507 HydrophobicContact CD2-CD2 4.21Å; L462-F507 HydrophobicContact CD2-CE2 4.3Å; L462-F507 HydrophobicContact CG-CD2 4.36Å; L462-F507 PolarHBondContact O-N 2.87Å; P505-F507 HydrophobicContact CB-CE2 4Å
508	F	98.3	Very high	91.3	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.5	175.3	-58	-87	0	0	0	111.9	F242 I261 I332 L334 F339 P340 T341 L347 L462 R463 I464	F242-F508 HydrophobicContact CE1-CE1 4.46Å; F242-F508 HydrophobicContact CE1-CE2 4.43Å; F242-F508 AromaticContact CE1-CZ 3.73Å; F242-F508 HydrophobicContact CE1-CZ 3.73Å; F242-F508 HydrophobicContact CZ-CZ 4.32Å; I261-F508 HydrophobicContact CG2-CE1 3.99Å; I332-F508 HydrophobicContact CG2-CE2 4.36Å; L334-F508 HydrophobicContact CD1-CD1 4.5Å; L334-F508 HydrophobicContact CD1-CE1 4.12Å; L334-F508 HydrophobicContact CD2-CB 4.42Å; L334-F508 HydrophobicContact CD2-CD1 3.68Å; L334-F508 HydrophobicContact CD2-CD2 4.44Å; L334-F508 HydrophobicContact CD2-CE1 4.05Å; L334-F508 HydrophobicContact CD2-CG 3.92Å; F339-F508 CarbonylContact O-C 3.53Å; F339-F508 WeakPolarHBondContact O-CA 3.35Å; P340-F508 HydrophobicContact CB-CD1 4.2Å; P340-F508 HydrophobicContact CB-CE1 4.12Å; T341-F508 PolarHBondContact OG1-N 2.84Å; L347-F508 HydrophobicContact CD1-CE2 4.36Å; L347-F508 HydrophobicContact CD2-CE2 3.92Å; L347-F508 HydrophobicContact CD2-CZ 3.78Å; L462-F508 PolarHBondContact O-N 2.97Å; R463-F508 CarbonylContact C-O 3.55Å; R463-F508 VanDerWaalsContact CA-O 3.29Å; R463-F508 WeakPolarHBondContact CA-O 3.22Å; I464-F508 PolarHBondContact N-O 2.98Å
509	A	97.9	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.7	173.5	0	0	0	0	0	111.8	D338 F339 T341 I464 F491 I499 F512	D338-A509 CarbonylContact C-O 3.58Å; D338-A509 WeakPolarHBondContact CA-O 3.45Å; F339-A509 PolarHBondContact N-O 3.37Å; F339-A509 PolarHBondContact O-N 3.12Å; T341-A509 HydrophobicContact CG2-CB 3.41Å; T341-A509 VanDerWaalsContact CG2-CB 3.41Å; I464-A509 HydrophobicContact CB-CB 3.97Å; I464-A509 HydrophobicContact CD1-CB 4.46Å; I464-A509 CarbonylContact O-C 3.54Å; I464-A509 VanDerWaalsContact O-CA 3.23Å; I464-A509 WeakPolarHBondContact O-CA 3.47Å; F491-A509 HydrophobicContact CE2-CB 3.79Å; F491-A509 HydrophobicContact CZ-CB 4.08Å; I499-A509 HydrophobicContact CD1-CB 4.05Å; A509-F512 HydrophobicContact CB-CE2 3.83Å; A509-F512 HydrophobicContact CB-CZ 4.16Å; A509-F512 WeakPolarHBondContact O-CE2 3.4Å
510	R	98.2	Very high	92.5	Very high	26 Å²	26	39.8 Å²	39.8	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.9	173	72.7	-166.8	-51	-92.4	-10.7	113.1	S335 T337 D338 W407 I464 T465 N466 F491	S335-R510 PolarHBondContact OG-NH2 2.89Å; T337-R510 PolarHBondContact OG1-NH2 2.93Å; D338-R510 WeakPolarHBondContact OD1-CD 3.4Å; D338-R510 IonicContact OD1-NE 2.82Å; D338-R510 IonicContact OD2-CZ 2.7Å; D338-R510 IonicContact OD2-NE 2.62Å; D338-R510 PolarHBondContact OD2-NE 3.21Å; D338-R510 IonicContact OD2-NH2 2.69Å; W407-R510 VanDerWaalsContact CE2-NH1 3.35Å; W407-R510 VanDerWaalsContact CZ2-CZ 3.42Å; I464-R510 PolarHBondContact O-N 3.4Å; T465-R510 WeakPolarHBondContact CA-O 3.3Å; T465-R510 HydrophobicContact CG2-CG 4.22Å; N466-R510 PolarHBondContact N-O 3.18Å; F491-R510 WeakPolarHBondContact CE2-O 3.28Å
511	K	98.3	Very high	93.6	Very high	17 Å²	17	34 Å²	34	7%	0.074	17%	0.17	C	C	.	.			cis	-107	158.7	7.5	-67.9	178.4	60.1	-85.7	0	113.8	T337 P488 N489 D490 F491 E513	T337-K511 CarbonylContact O-C 3.31Å; T337-K511 VanDerWaalsContact O-CA 3.3Å; T337-K511 WeakPolarHBondContact O-CA 3.44Å; T337-K511 WeakPolarHBondContact OG1-CE 3.33Å; P488-K511 HydrophobicContact CB-CG 4.34Å; N489-K511 PolarHBondContact O-N 3.49Å; D490-K511 CarbonylContact C-O 3.58Å; D490-K511 VanDerWaalsContact CA-O 3.28Å; D490-K511 WeakPolarHBondContact CA-O 3.49Å; D490-K511 VanDerWaalsContact CG-NZ 3.33Å; D490-K511 WeakPolarHBondContact OD1-CB 3.31Å; D490-K511 IonicContact OD1-NZ 3.18Å; D490-K511 PolarHBondContact OD1-NZ 2.8Å; D490-K511 IonicContact OD2-NZ 2.66Å; D490-K511 PolarHBondContact OD2-NZ 3.49Å; F491-K511 WeakPolarHBondContact CD2-O 3.27Å; F491-K511 PolarHBondContact N-O 3.05Å; K511-E513 IonicContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact NZ-OE2 2.82Å
512	F	98.4	Very high	94.6	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	14%	0.143	C	C	.	.			trans	-128.2	131.7	169.1	-62.5	-90.2	0	0	0	109.2	T337 F339 F491 L496 I499 A509 A520 I521 L524	T337-F512 WeakPolarHBondContact CA-O 3.34Å; T337-F512 VanDerWaalsContact CB-O 3.32Å; T337-F512 WeakPolarHBondContact CB-O 3.45Å; T337-F512 WeakPolarHBondContact CG2-O 3.43Å; T337-F512 PolarHBondContact O-N 2.8Å; F339-F512 HydrophobicContact CB-CD2 3.54Å; F339-F512 HydrophobicContact CB-CE2 3.58Å; F339-F512 HydrophobicContact CB-CG 4.25Å; F339-F512 HydrophobicContact CB-CZ 4.31Å; F491-F512 HydrophobicContact CB-CD1 3.82Å; F491-F512 HydrophobicContact CB-CE1 3.48Å; F491-F512 VanDerWaalsContact CB-CE1 3.48Å; F491-F512 HydrophobicContact CB-CZ 4.02Å; F491-F512 HydrophobicContact CD2-CD2 4.47Å; F491-F512 HydrophobicContact CD2-CE1 4.1Å; F491-F512 AromaticContact CD2-CE2 3.95Å; F491-F512 HydrophobicContact CD2-CE2 3.95Å; F491-F512 AromaticContact CD2-CZ 3.74Å; F491-F512 HydrophobicContact CD2-CZ 3.74Å; F491-F512 HydrophobicContact CE2-CE2 4.47Å; F491-F512 HydrophobicContact CE2-CZ 4.4Å; F491-F512 AromaticContact CG-CE1 3.93Å; F491-F512 HydrophobicContact CG-CE1 3.93Å; F491-F512 AromaticContact CG-CZ 3.93Å; F491-F512 HydrophobicContact CG-CZ 3.93Å; L496-F512 HydrophobicContact CD2-CE1 4.41Å; I499-F512 HydrophobicContact CD1-CZ 4.44Å; A509-F512 HydrophobicContact CB-CE2 3.83Å; A509-F512 HydrophobicContact CB-CZ 4.16Å; A509-F512 WeakPolarHBondContact O-CE2 3.4Å; F512-A520 HydrophobicContact CE1-CB 4.42Å; F512-I521 HydrophobicContact CB-CD1 4.03Å; F512-I521 HydrophobicContact CB-CG1 4.04Å; F512-I521 HydrophobicContact CD1-CG1 3.85Å; F512-I521 HydrophobicContact CG-CG1 4.3Å; F512-L524 HydrophobicContact CE1-CD2 4.15Å; F512-L524 HydrophobicContact CE2-CD2 4.35Å; F512-L524 HydrophobicContact CZ-CD2 3.61Å
513	E	98.4	Very high	95.5	Very high	41 Å²	41	29 Å²	29	19%	0.192	15%	0.147	C	C	.	.			trans	-135.5	117	175	-80.5	180	14.2	0	0	108.7	T337 D490 K511 T515 V516 N517 R664	T337-E513 HydrophobicContact CG2-CG 3.97Å; D490-E513 WeakPolarHBondContact OD1-CG 3.25Å; K511-E513 IonicContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact NZ-OE2 2.82Å; E513-T515 PolarHBondContact O-N 2.97Å; E513-V516 HydrophobicContact CB-CB 3.89Å; E513-V516 HydrophobicContact CB-CG2 3.67Å; E513-V516 WeakPolarHBondContact O-CA 3.42Å; E513-V516 WeakPolarHBondContact O-CB 3.43Å; E513-V516 PolarHBondContact O-N 3.44Å; E513-V516 VanDerWaalsContact OE1-CG2 3.29Å; E513-V516 WeakPolarHBondContact OE1-CG2 3.38Å; E513-N517 PolarHBondContact O-N 3.03Å; E513-R664 IonicContact OE1-CZ 2.87Å; E513-R664 VanDerWaalsContact OE1-CZ 3.25Å; E513-R664 IonicContact OE1-NH1 2.72Å; E513-R664 PolarHBondContact OE1-NH1 3.28Å; E513-R664 IonicContact OE1-NH2 3.82Å; E513-R664 PolarHBondContact OE1-NH2 3.42Å
514	S	97.8	Very high	96.5	Very high	3 Å²	3	23 Å²	23	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17	-174.7	-43.4	0	0	0	0	113.8	Q253 V516 I521	Q253-S514 PolarHBondContact OE1-OG 3.37Å; S514-V516 VanDerWaalsContact C-N 3.26Å; S514-I521 WeakPolarHBondContact OG-CD1 3.4Å
515	T	97.5	Very high	97	Very high	15 Å²	15	18.6 Å²	18.6	9%	0.092	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.1	168.3	56.1	0	0	0	0	113.4	E513 Y542 F600	E513-T515 PolarHBondContact O-N 2.97Å; T515-Y542 HydrophobicContact CG2-CD1 4.18Å; T515-Y542 HydrophobicContact CG2-CE1 3.68Å; T515-F600 HydrophobicContact CG2-CD2 4.48Å; T515-F600 HydrophobicContact CG2-CE2 3.7Å; T515-F600 HydrophobicContact CG2-CZ 3.95Å
516	V	97.9	Very high	97.3	Very high	16 Å²	16	19.9 Å²	19.9	10%	0.097	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-41	-177.9	177.9	0	0	0	0	111.5	D490 K492 E513 S514 E660 I662	D490-V516 HydrophobicContact CB-CG1 4.04Å; K492-V516 VanDerWaalsContact NZ-CG1 3.28Å; K492-V516 PolarHBondContact NZ-O 3.45Å; E513-V516 HydrophobicContact CB-CB 3.89Å; E513-V516 HydrophobicContact CB-CG2 3.67Å; E513-V516 WeakPolarHBondContact O-CA 3.42Å; E513-V516 WeakPolarHBondContact O-CB 3.43Å; E513-V516 PolarHBondContact O-N 3.44Å; E513-V516 VanDerWaalsContact OE1-CG2 3.29Å; E513-V516 WeakPolarHBondContact OE1-CG2 3.38Å; S514-V516 VanDerWaalsContact C-N 3.26Å; V516-E660 HydrophobicContact CG1-CB 4.19Å; V516-E660 HydrophobicContact CG1-CG 4.01Å; V516-I662 HydrophobicContact CG2-CD1 3.88Å
517	N	98.1	Very high	97.4	Very high	15 Å²	15	24.9 Å²	24.9	8%	0.08	12%	0.123	C	C	.	.			trans	-168	109.4	166.7	179.2	-112.9	0	0	0	109.4	K492 P493 E513 A520 D603	K492-N517 HydrophobicContact CD-CB 3.63Å; P493-N517 WeakPolarHBondContact CD-OD1 3.05Å; E513-N517 PolarHBondContact O-N 3.03Å; N517-A520 WeakPolarHBondContact OD1-CB 3.04Å; N517-A520 PolarHBondContact OD1-N 2.87Å; N517-D603 WeakPolarHBondContact CA-OD2 3.49Å; N517-D603 VanDerWaalsContact CG-OD2 3.29Å; N517-D603 PolarHBondContact ND2-OD2 3.23Å
518	Q	97.8	Very high	97.3	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	13%	0.126	C	C	.	.	S	Bend	trans	-80.8	-26.1	171.2	-175	170.3	-117.7	0	0	111.5	A520 I521 D522 I539 A541 D603	Q518-A520 VanDerWaalsContact C-N 3.31Å; Q518-A520 PolarHBondContact O-N 2.93Å; Q518-I521 CarbonylContact O-C 3.54Å; Q518-I521 WeakPolarHBondContact O-CA 3.24Å; Q518-I521 VanDerWaalsContact O-CB 3.3Å; Q518-I521 WeakPolarHBondContact O-CB 3.29Å; Q518-I521 PolarHBondContact O-N 2.81Å; Q518-D522 PolarHBondContact O-N 2.89Å; Q518-I539 PolarHBondContact NE2-O 2.73Å; Q518-A541 PolarHBondContact NE2-O 3.28Å; Q518-D603 WeakPolarHBondContact CB-OD1 3.28Å; Q518-D603 VanDerWaalsContact N-CG 3.33Å; Q518-D603 PolarHBondContact N-OD1 3.4Å; Q518-D603 PolarHBondContact N-OD2 2.87Å; Q518-D603 VanDerWaalsContact N-OD2 3.11Å
519	E	97.9	Very high	97.2	Very high	97 Å²	97	27.2 Å²	27.2	45%	0.453	13%	0.133	S	C	.	.	H	α-helix	trans	-55.1	-42.6	-177.7	-171.3	-173.7	-174.7	0	0	112.8	P493 I521 D522 I523 D603	P493-E519 HydrophobicContact CG-CB 4.21Å; P493-E519 HydrophobicContact CG-CG 3.99Å; P493-E519 VanDerWaalsContact CG-OE2 3.24Å; P493-E519 WeakPolarHBondContact CG-OE2 3.31Å; E519-I521 PolarHBondContact O-N 2.84Å; E519-D522 PolarHBondContact O-N 3.37Å; E519-I523 HydrophobicContact CG-CD1 4Å; E519-I523 VanDerWaalsContact O-CG1 3.32Å; E519-I523 WeakPolarHBondContact O-CG1 3.22Å; E519-I523 PolarHBondContact O-N 3.36Å; E519-D603 PolarHBondContact N-OD2 3.02Å
520	A	97.1	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-26.5	176.7	0	0	0	0	0	113.6	L496 F512 N517 Q518 L524	L496-A520 HydrophobicContact CD1-CB 4.18Å; L496-A520 HydrophobicContact CD2-CB 4.25Å; L496-A520 HydrophobicContact CG-CB 4.35Å; F512-A520 HydrophobicContact CE1-CB 4.42Å; N517-A520 WeakPolarHBondContact OD1-CB 3.04Å; N517-A520 PolarHBondContact OD1-N 2.87Å; Q518-A520 VanDerWaalsContact C-N 3.31Å; Q518-A520 PolarHBondContact O-N 2.93Å; A520-L524 WeakPolarHBondContact O-CB 3.34Å; A520-L524 PolarHBondContact O-N 2.81Å
521	I	97.9	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-78.7	-39.8	175.4	-46	174.7	0	0	0	109.7	F339 F512 S514 Q518 E519 L524 D525	F339-I521 HydrophobicContact CD2-CG2 4.18Å; F339-I521 HydrophobicContact CE1-CG2 4.35Å; F339-I521 HydrophobicContact CE2-CG2 3.9Å; F339-I521 HydrophobicContact CZ-CG2 4Å; F512-I521 HydrophobicContact CB-CD1 4.03Å; F512-I521 HydrophobicContact CB-CG1 4.04Å; F512-I521 HydrophobicContact CD1-CG1 3.85Å; F512-I521 HydrophobicContact CG-CG1 4.3Å; S514-I521 WeakPolarHBondContact OG-CD1 3.4Å; Q518-I521 CarbonylContact O-C 3.54Å; Q518-I521 WeakPolarHBondContact O-CA 3.24Å; Q518-I521 VanDerWaalsContact O-CB 3.3Å; Q518-I521 WeakPolarHBondContact O-CB 3.29Å; Q518-I521 PolarHBondContact O-N 2.81Å; E519-I521 PolarHBondContact O-N 2.84Å; I521-L524 PolarHBondContact O-N 3.31Å; I521-D525 WeakPolarHBondContact O-CB 3.47Å; I521-D525 PolarHBondContact O-N 2.76Å
522	D	97.1	Very high	96.9	Very high	24 Å²	24	37 Å²	37	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-45.5	176	-69.2	-28.8	0	0	0	112.1	R256 Q518 E519 L524 T526	R256-D522 IonicContact CZ-OD1 2.69Å; R256-D522 IonicContact NH1-OD1 2.79Å; R256-D522 PolarHBondContact NH1-OD1 3.27Å; R256-D522 IonicContact NH2-OD1 3.93Å; R256-D522 PolarHBondContact NH2-OD1 2.91Å; Q518-D522 PolarHBondContact O-N 2.89Å; E519-D522 PolarHBondContact O-N 3.37Å; D522-L524 VanDerWaalsContact C-N 3.33Å; D522-L524 PolarHBondContact O-N 2.92Å; D522-T526 WeakPolarHBondContact O-CB 3.18Å; D522-T526 PolarHBondContact O-N 2.7Å; D522-T526 PolarHBondContact O-OG1 2.85Å
523	I	96.5	Very high	96.8	Very high	72 Å²	72	40.2 Å²	40.2	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-44.4	175.3	-65.8	164	0	0	0	110.3	P493 L496 E519 H527	P493-I523 HydrophobicContact CB-CD1 3.95Å; P493-I523 HydrophobicContact CG-CD1 4.39Å; L496-I523 HydrophobicContact CD1-CB 3.68Å; L496-I523 HydrophobicContact CD1-CD1 4.04Å; L496-I523 HydrophobicContact CD1-CG1 4.48Å; L496-I523 HydrophobicContact CD1-CG2 3.53Å; E519-I523 HydrophobicContact CG-CD1 4Å; E519-I523 VanDerWaalsContact O-CG1 3.32Å; E519-I523 WeakPolarHBondContact O-CG1 3.22Å; E519-I523 PolarHBondContact O-N 3.36Å; I523-H527 VanDerWaalsContact O-CB 3.26Å; I523-H527 WeakPolarHBondContact O-CB 3.21Å; I523-H527 PolarHBondContact O-N 3.37Å
524	L	95.3	Very high	96.6	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-73.7	-40.9	-175.1	-171.1	54.2	0	0	0	112.9	F339 P340 T341 I499 F512 A520 I521 D522 H527 L528	F339-L524 HydrophobicContact CD1-CB 4.45Å; F339-L524 HydrophobicContact CD1-CD2 3.88Å; F339-L524 HydrophobicContact CD1-CG 4.03Å; F339-L524 HydrophobicContact CE1-CG 4.43Å; P340-L524 WeakPolarHBondContact O-CD2 3.44Å; T341-L524 HydrophobicContact CG2-CD2 4.3Å; I499-L524 HydrophobicContact CD1-CD2 4.35Å; F512-L524 HydrophobicContact CE1-CD2 4.15Å; F512-L524 HydrophobicContact CE2-CD2 4.35Å; F512-L524 HydrophobicContact CZ-CD2 3.61Å; A520-L524 WeakPolarHBondContact O-CB 3.34Å; A520-L524 PolarHBondContact O-N 2.81Å; I521-L524 PolarHBondContact O-N 3.31Å; D522-L524 VanDerWaalsContact C-N 3.33Å; D522-L524 PolarHBondContact O-N 2.92Å; L524-H527 PolarHBondContact O-N 3.21Å; L524-L528 HydrophobicContact CD1-CD1 4.4Å; L524-L528 HydrophobicContact CD1-CG 4.5Å; L524-L528 WeakPolarHBondContact O-CG 3.44Å; L524-L528 PolarHBondContact O-N 2.86Å; L524-L528 VanDerWaalsContact O-N 3.16Å
525	D	97.2	Very high	96.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-41	172.3	-177	78.3	0	0	0	111.7	R256 F339 I521 L528 Y529 Y532 R869	R256-D525 IonicContact NH2-OD2 3.22Å; F339-D525 HydrophobicContact CE1-CB 4.15Å; F339-D525 HydrophobicContact CZ-CB 4.11Å; I521-D525 WeakPolarHBondContact O-CB 3.47Å; I521-D525 PolarHBondContact O-N 2.76Å; D525-L528 PolarHBondContact O-N 3.26Å; D525-Y529 PolarHBondContact O-N 3.27Å; D525-Y532 WeakPolarHBondContact OD2-CE2 3.47Å; D525-R869 IonicContact OD1-NE 2.61Å; D525-R869 PolarHBondContact OD1-NE 3.07Å; D525-R869 IonicContact OD2-CZ 2.8Å; D525-R869 VanDerWaalsContact OD2-CZ 3.31Å; D525-R869 IonicContact OD2-NE 2.71Å; D525-R869 PolarHBondContact OD2-NE 3.05Å; D525-R869 IonicContact OD2-NH2 3.9Å; D525-R869 PolarHBondContact OD2-NH2 2.72Å
526	T	96.4	Very high	96.4	Very high	50 Å²	50	49.7 Å²	49.7	31%	0.307	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-38	176.7	-58.7	0	0	0	0	112.1	D522 G530 Q531	D522-T526 WeakPolarHBondContact O-CB 3.18Å; D522-T526 PolarHBondContact O-N 2.7Å; D522-T526 PolarHBondContact O-OG1 2.85Å; T526-G530 VanDerWaalsContact O-CA 3.27Å; T526-G530 WeakPolarHBondContact O-CA 3.2Å; T526-G530 PolarHBondContact O-N 2.98Å; T526-Q531 HydrophobicContact CG2-CB 4.47Å; T526-Q531 HydrophobicContact CG2-CG 3.54Å
527	H	94.4	Very high	96.3	Very high	114 Å²	114	52.5 Å²	52.5	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-36.3	177.8	-179.7	33.8	0	0	0	112.6	Q500 I523 L524	Q500-H527 PolarHBondContact NE2-NE2 2.93Å; I523-H527 VanDerWaalsContact O-CB 3.26Å; I523-H527 WeakPolarHBondContact O-CB 3.21Å; I523-H527 PolarHBondContact O-N 3.37Å; L524-H527 PolarHBondContact O-N 3.21Å
528	L	94.8	Very high	96.2	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-87.1	-33.8	-177.9	-65.9	177.8	0	0	0	114	P340 L524 D525	P340-L528 HydrophobicContact CB-CD1 4.15Å; P340-L528 HydrophobicContact CG-CD1 4.25Å; P340-L528 WeakPolarHBondContact O-CD1 3.34Å; L524-L528 HydrophobicContact CD1-CD1 4.4Å; L524-L528 HydrophobicContact CD1-CG 4.5Å; L524-L528 WeakPolarHBondContact O-CG 3.44Å; L524-L528 PolarHBondContact O-N 2.86Å; L524-L528 VanDerWaalsContact O-N 3.16Å; D525-L528 PolarHBondContact O-N 3.26Å
529	Y	96.3	Very high	96.2	Very high	45 Å²	45	54.9 Å²	54.9	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-133	17.8	-167.5	-53.1	-58.7	0	0	0	114.1	A260 T343 D525 R867 R869	A260-Y529 HydrophobicContact CB-CE2 3.94Å; A260-Y529 PolarHBondContact O-OH 2.81Å; A260-Y529 VanDerWaalsContact O-OH 3.11Å; T343-Y529 HydrophobicContact CG2-CE1 4.39Å; D525-Y529 PolarHBondContact O-N 3.27Å; Y529-R867 PolarHBondContact OH-NH2 3.49Å; Y529-R869 VanDerWaalsContact CB-CZ 3.45Å; Y529-R869 HydrophobicContact CD1-CG 4.48Å; Y529-R869 HydrophobicContact CD2-CG 3.81Å; Y529-R869 HydrophobicContact CG-CG 3.71Å; Y529-R869 PolarHBondContact O-NH1 3.05Å; Y529-R869 PolarHBondContact O-NH2 3.36Å
530	G	96.6	Very high	96.1	Very high	36 Å²	36	54.7 Å²	54.7	37%	0.371	32%	0.324	S	S	.	.			trans	70	173	179.1	0	0	0	0	0	114	T526 R869	T526-G530 VanDerWaalsContact O-CA 3.27Å; T526-G530 WeakPolarHBondContact O-CA 3.2Å; T526-G530 PolarHBondContact O-N 2.98Å; G530-R869 PolarHBondContact O-NH2 3.32Å
531	Q	95.9	Very high	96.2	Very high	169 Å²	169	54.7 Å²	54.7	79%	0.79	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-70.8	150.2	176.2	-69.2	-179.6	-5	0	0	111.5	T526	T526-Q531 HydrophobicContact CG2-CB 4.47Å; T526-Q531 HydrophobicContact CG2-CG 3.54Å
532	Y	95.5	Very high	96.2	Very high	45 Å²	45	54.9 Å²	54.9	18%	0.176	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.2	157.6	164	-73.4	-99.1	0	0	0	110.3	D525 T536 I539 K856 R869	D525-Y532 WeakPolarHBondContact OD2-CE2 3.47Å; Y532-T536 HydrophobicContact CD1-CG2 4.2Å; Y532-T536 HydrophobicContact CG-CG2 4.47Å; Y532-I539 HydrophobicContact CD1-CD1 4.25Å; Y532-I539 HydrophobicContact CD2-CD1 3.86Å; Y532-I539 HydrophobicContact CE2-CD1 4.46Å; Y532-I539 HydrophobicContact CG-CD1 3.76Å; Y532-K856 HydrophobicContact CE1-CB 4.32Å; Y532-K856 HydrophobicContact CE2-CB 4.34Å; Y532-R869 WeakPolarHBondContact OH-CD 2.91Å; Y532-R869 PolarHBondContact OH-NE 3.19Å
533	A	95.8	Very high	96.3	Very high	68 Å²	68	53.8 Å²	53.8	56%	0.562	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-58.7	144.3	-178.2	0	0	0	0	0	112.1	G535 T536	A533-G535 PolarHBondContact O-N 3.45Å; A533-T536 PolarHBondContact N-OG1 2.84Å; A533-T536 WeakPolarHBondContact O-CB 3.24Å; A533-T536 PolarHBondContact O-N 3.42Å; A533-T536 PolarHBondContact O-OG1 3.11Å
534	P	95.2	Very high	96.4	Very high	138 Å²	138	51.8 Å²	51.8	90%	0.896	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	133.5	174.2	-27.1	35.6	0	0	0	111.8
535	G	94.4	Very high	96.5	Very high	78 Å²	78	51.5 Å²	51.5	80%	0.804	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-0.1	-175.1	0	0	0	0	0	115.4	A533 V537	A533-G535 PolarHBondContact O-N 3.45Å; G535-V537 PolarHBondContact O-N 3.03Å
536	T	96.3	Very high	96.5	Very high	41 Å²	41	53.9 Å²	53.9	25%	0.252	32%	0.321	S	S	.	.			trans	-60.4	120.9	171.4	-56.4	0	0	0	0	110.1	Y532 A533 I539 P855	Y532-T536 HydrophobicContact CD1-CG2 4.2Å; Y532-T536 HydrophobicContact CG-CG2 4.47Å; A533-T536 PolarHBondContact N-OG1 2.84Å; A533-T536 WeakPolarHBondContact O-CB 3.24Å; A533-T536 PolarHBondContact O-N 3.42Å; A533-T536 PolarHBondContact O-OG1 3.11Å; T536-I539 HydrophobicContact CG2-CD1 3.74Å; T536-I539 HydrophobicContact CG2-CG1 4.22Å; T536-P855 HydrophobicContact CG2-CB 3.97Å; T536-P855 HydrophobicContact CG2-CG 3.95Å
537	V	96.7	Very high	96.5	Very high	76 Å²	76	51.6 Å²	51.6	46%	0.461	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	170.4	-178.8	-62.7	0	0	0	0	112.3	G535 I539 P853	G535-V537 PolarHBondContact O-N 3.03Å; V537-I539 PolarHBondContact O-N 2.82Å; V537-P853 HydrophobicContact CG2-CB 4.05Å
538	A	96.1	Very high	96.6	Very high	20 Å²	20	47.3 Å²	47.3	17%	0.165	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	4.6	168.5	0	0	0	0	0	117.8	K540 A541 W543 P853 K856	A538-K540 PolarHBondContact O-N 3.42Å; A538-A541 HydrophobicContact CB-CB 4.35Å; A538-A541 WeakPolarHBondContact O-CB 3.25Å; A538-A541 PolarHBondContact O-N 2.93Å; A538-W543 HydrophobicContact CB-CH2 3.71Å; A538-W543 HydrophobicContact CB-CZ3 3.93Å; A538-P853 WeakPolarHBondContact CB-O 3.32Å; A538-K856 PolarHBondContact O-NZ 3.28Å
539	I	96.1	Very high	96.6	Very high	48 Å²	48	51 Å²	51	25%	0.246	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-53.5	-177.6	-61.4	-60.6	0	0	0	112.2	Q518 Y532 T536 V537 A541 K856	Q518-I539 PolarHBondContact NE2-O 2.73Å; Y532-I539 HydrophobicContact CD1-CD1 4.25Å; Y532-I539 HydrophobicContact CD2-CD1 3.86Å; Y532-I539 HydrophobicContact CE2-CD1 4.46Å; Y532-I539 HydrophobicContact CG-CD1 3.76Å; T536-I539 HydrophobicContact CG2-CD1 3.74Å; T536-I539 HydrophobicContact CG2-CG1 4.22Å; V537-I539 PolarHBondContact O-N 2.82Å; I539-A541 VanDerWaalsContact C-N 3.28Å; I539-A541 PolarHBondContact O-N 3.16Å; I539-K856 WeakPolarHBondContact O-CD 3.49Å; I539-K856 WeakPolarHBondContact O-CE 3.25Å; I539-K856 PolarHBondContact O-NZ 2.83Å
540	K	96.7	Very high	96.6	Very high	93 Å²	93	53.3 Å²	53.3	40%	0.404	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.4	177.6	-74.4	-175.3	169.9	-115.3	0	115.3	A538 Y601 D602	A538-K540 PolarHBondContact O-N 3.42Å; K540-Y601 HydrophobicContact CB-CD2 4.49Å; K540-Y601 HydrophobicContact CB-CE1 4.33Å; K540-Y601 HydrophobicContact CB-CE2 4.12Å; K540-Y601 HydrophobicContact CD-CE1 4.35Å; K540-D602 HydrophobicContact CD-CB 4.25Å; K540-D602 IonicContact NZ-OD1 2.82Å; K540-D602 PolarHBondContact NZ-OD1 2.81Å; K540-D602 IonicContact NZ-OD2 2.79Å; K540-D602 PolarHBondContact NZ-OD2 2.84Å; K540-D602 PolarHBondContact O-N 2.88Å
541	A	98.1	Very high	96.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	152.9	-177.7	0	0	0	0	0	111.5	Q518 A538 I539 W543 Y599 F600 Y601 K856	Q518-A541 PolarHBondContact NE2-O 3.28Å; A538-A541 HydrophobicContact CB-CB 4.35Å; A538-A541 WeakPolarHBondContact O-CB 3.25Å; A538-A541 PolarHBondContact O-N 2.93Å; I539-A541 VanDerWaalsContact C-N 3.28Å; I539-A541 PolarHBondContact O-N 3.16Å; A541-W543 HydrophobicContact CB-CE3 4.29Å; A541-W543 HydrophobicContact CB-CH2 3.45Å; A541-W543 VanDerWaalsContact CB-CH2 3.45Å; A541-W543 HydrophobicContact CB-CZ2 3.96Å; A541-W543 HydrophobicContact CB-CZ3 3.62Å; A541-Y599 HydrophobicContact CB-CE2 4.11Å; A541-F600 CarbonylContact C-O 3.57Å; A541-F600 WeakPolarHBondContact CA-O 3.45Å; A541-Y601 HydrophobicContact CB-CD2 4.21Å; A541-K856 VanDerWaalsContact O-CE 3.26Å; A541-K856 WeakPolarHBondContact O-CE 3.5Å; A541-K856 PolarHBondContact O-NZ 3.36Å
542	Y	98.7	Very high	96.3	Very high	4 Å²	4	47 Å²	47	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.8	168.1	-178.7	-104.7	0	0	0	110.4	R252 Q253 T515 E544 F600	R252-Y542 HydrophobicContact CB-CE2 3.93Å; Q253-Y542 HydrophobicContact CB-CE2 4.32Å; T515-Y542 HydrophobicContact CG2-CD1 4.18Å; T515-Y542 HydrophobicContact CG2-CE1 3.68Å; Y542-E544 HydrophobicContact CE1-CB 3.79Å; Y542-E544 WeakPolarHBondContact CE1-OE2 3.41Å; Y542-E544 PolarHBondContact OH-OE2 2.87Å; Y542-F600 HydrophobicContact CD1-CD2 4.16Å; Y542-F600 PolarHBondContact N-O 2.92Å; Y542-F600 PolarHBondContact O-N 3.22Å
543	W	98.7	Very high	96.1	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.4	179.5	-61.1	-95.6	0	0	0	110.7	R252 A538 A541 L598 Y599 W848 S852 D854	R252-W543 WeakPolarHBondContact CD-O 3.5Å; R252-W543 VanDerWaalsContact NH1-CE3 3.28Å; A538-W543 HydrophobicContact CB-CH2 3.71Å; A538-W543 HydrophobicContact CB-CZ3 3.93Å; A541-W543 HydrophobicContact CB-CE3 4.29Å; A541-W543 HydrophobicContact CB-CH2 3.45Å; A541-W543 VanDerWaalsContact CB-CH2 3.45Å; A541-W543 HydrophobicContact CB-CZ2 3.96Å; A541-W543 HydrophobicContact CB-CZ3 3.62Å; W543-L598 WeakPolarHBondContact CA-O 3.4Å; W543-Y599 AromaticContact CD1-CD2 3.63Å; W543-Y599 HydrophobicContact CD2-CD2 4.3Å; W543-Y599 AromaticContact CE2-CD2 3.69Å; W543-Y599 AromaticContact CE2-CE2 3.67Å; W543-Y599 HydrophobicContact CG-CD2 4.29Å; W543-Y599 HydrophobicContact CZ2-CD2 4.27Å; W543-Y599 AromaticContact CZ2-CE2 3.76Å; W543-Y599 HydrophobicContact CZ2-CE2 3.76Å; W543-Y599 AromaticContact NE1-CD2 3.21Å; W543-Y599 AromaticContact NE1-CE2 3.59Å; W543-W848 PolarHBondContact NE1-O 2.85Å; W543-S852 VanDerWaalsContact CZ2-OG 3.31Å; W543-S852 WeakPolarHBondContact CZ2-OG 3.32Å; W543-D854 HydrophobicContact CZ3-CB 4.05Å
544	E	98.6	Very high	95.8	Very high	30 Å²	30	46.2 Å²	46.2	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	115.4	177.3	-169.3	157.8	129.1	0	0	110.4	R249 A250 Y542 V546 H597 L598	R249-E544 HydrophobicContact CB-CG 3.8Å; A250-E544 WeakPolarHBondContact CA-OE2 3.37Å; A250-E544 WeakPolarHBondContact CB-OE2 3.36Å; Y542-E544 HydrophobicContact CE1-CB 3.79Å; Y542-E544 WeakPolarHBondContact CE1-OE2 3.41Å; Y542-E544 PolarHBondContact OH-OE2 2.87Å; E544-V546 PolarHBondContact O-N 2.81Å; E544-H597 CarbonylContact O-C 3.54Å; E544-H597 VanDerWaalsContact O-CA 3.3Å; E544-H597 WeakPolarHBondContact O-CA 3.42Å; E544-L598 PolarHBondContact N-O 3.43Å; E544-L598 VanDerWaalsContact N-O 3.11Å; E544-L598 PolarHBondContact O-N 3.41Å
545	S	97.8	Very high	95.6	Very high	1 Å²	1	43 Å²	43	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	115.6	174.9	168.9	0	0	0	0	109.5	R249 F547 E548 V596 H597	R249-S545 VanDerWaalsContact CB-O 3.28Å; R249-S545 WeakPolarHBondContact CB-O 3.49Å; R249-S545 WeakPolarHBondContact CG-O 3.41Å; R249-S545 PolarHBondContact NE-O 2.73Å; R249-S545 PolarHBondContact NH2-O 3.47Å; R249-S545 PolarHBondContact NH2-OG 2.88Å; S545-F547 PolarHBondContact OG-O 2.84Å; S545-E548 VanDerWaalsContact CB-OE1 3.25Å; S545-E548 WeakPolarHBondContact CB-OE1 3.46Å; S545-E548 WeakPolarHBondContact OG-CG 3.26Å; S545-E548 PolarHBondContact OG-OE1 2.85Å; S545-V596 CarbonylContact C-O 3.58Å; S545-V596 WeakPolarHBondContact CA-O 3.2Å; S545-H597 PolarHBondContact N-CD2 3.05Å
546	V	96.6	Very high	95.6	Very high	51 Å²	51	40.1 Å²	40.1	31%	0.309	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-18.9	170.3	-72.6	0	0	0	0	112	E544 V596 L598	E544-V546 PolarHBondContact O-N 2.81Å; V546-V596 HydrophobicContact CG2-CB 4.08Å; V546-V596 HydrophobicContact CG2-CG1 3.92Å; V546-V596 VanDerWaalsContact CG2-O 3.32Å; V546-V596 WeakPolarHBondContact CG2-O 3.22Å; V546-V596 PolarHBondContact N-O 2.63Å; V546-L598 HydrophobicContact CG1-CD1 3.79Å; V546-L598 HydrophobicContact CG1-CD2 4.35Å; V546-L598 HydrophobicContact CG1-CG 3.71Å
547	F	97.4	Very high	95.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.2	179.7	171.5	-102.5	0	0	0	111.9	S545 S555 L556 P593 S595 V596	S545-F547 PolarHBondContact OG-O 2.84Å; F547-S555 WeakPolarHBondContact CD2-OG 3.3Å; F547-S555 WeakPolarHBondContact CE2-OG 3.22Å; F547-L556 HydrophobicContact CB-CD2 3.79Å; F547-L556 HydrophobicContact CD1-CD1 4.21Å; F547-L556 HydrophobicContact CD1-CD2 4.45Å; F547-L556 HydrophobicContact CD2-CD1 4.06Å; F547-L556 HydrophobicContact CD2-CD2 3.67Å; F547-L556 HydrophobicContact CD2-CG 3.61Å; F547-L556 HydrophobicContact CE1-CD1 4.16Å; F547-L556 HydrophobicContact CE2-CD1 4Å; F547-L556 HydrophobicContact CE2-CD2 4.39Å; F547-L556 HydrophobicContact CE2-CG 3.83Å; F547-L556 HydrophobicContact CG-CD1 4.16Å; F547-L556 HydrophobicContact CG-CD2 3.71Å; F547-L556 HydrophobicContact CG-CG 4.01Å; F547-L556 HydrophobicContact CZ-CD1 4.05Å; F547-L556 HydrophobicContact CZ-CG 4.39Å; F547-P593 HydrophobicContact CE1-CB 4.37Å; F547-P593 WeakPolarHBondContact CE1-O 3.49Å; F547-S595 CarbonylContact O-C 3.6Å; F547-S595 WeakPolarHBondContact O-CA 3.47Å; F547-S595 WeakPolarHBondContact O-CB 3.19Å; F547-V596 HydrophobicContact CB-CB 4.34Å; F547-V596 HydrophobicContact CD1-CG2 4.37Å; F547-V596 PolarHBondContact N-O 3Å; F547-V596 PolarHBondContact O-N 3.45Å
548	E	96.8	Very high	95.6	Very high	24 Å²	24	38.8 Å²	38.8	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.3	166.7	-61.4	-64.1	136.6	0	0	109.1	Y278 S545 P550 D551 S595 H597 R611	Y278-E548 HydrophobicContact CD2-CG 3.6Å; Y278-E548 HydrophobicContact CE2-CG 3.9Å; Y278-E548 HydrophobicContact CG-CG 4.24Å; S545-E548 VanDerWaalsContact CB-OE1 3.25Å; S545-E548 WeakPolarHBondContact CB-OE1 3.46Å; S545-E548 WeakPolarHBondContact OG-CG 3.26Å; S545-E548 PolarHBondContact OG-OE1 2.85Å; E548-P550 VanDerWaalsContact C-CD 3.4Å; E548-P550 VanDerWaalsContact C-N 3.31Å; E548-P550 VanDerWaalsContact O-N 3.14Å; E548-D551 WeakPolarHBondContact O-CB 3.35Å; E548-D551 PolarHBondContact O-N 3.04Å; E548-S595 VanDerWaalsContact CD-CB 3.45Å; E548-S595 WeakPolarHBondContact OE1-CB 3.35Å; E548-S595 VanDerWaalsContact OE2-CB 3.22Å; E548-S595 WeakPolarHBondContact OE2-CB 3.08Å; E548-H597 IonicContact OE1-CE1 3.98Å; E548-R611 IonicContact OE2-NH2 3.34Å
549	Q	95.4	Very high	95.6	Very high	102 Å²	102	38.5 Å²	38.5	48%	0.477	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-50.5	-37.3	-179.2	-176.6	-175.9	59.9	0	0	115.1	D551 G552 L594	Q549-D551 PolarHBondContact O-N 3.44Å; Q549-D551 VanDerWaalsContact O-N 3.17Å; Q549-G552 WeakPolarHBondContact O-CA 3.31Å; Q549-G552 PolarHBondContact O-N 2.9Å; Q549-L594 WeakPolarHBondContact CB-O 3.38Å; Q549-L594 PolarHBondContact N-O 2.86Å
550	P	96.1	Very high	95.7	Very high	92 Å²	92	36.7 Å²	36.7	60%	0.597	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-70.2	-3.4	176	-19.5	34.3	0	0	0	115.2	E548	E548-P550 VanDerWaalsContact C-CD 3.4Å; E548-P550 VanDerWaalsContact C-N 3.31Å; E548-P550 VanDerWaalsContact O-N 3.14Å
551	D	92.1	Very high	95.7	Very high	42 Å²	42	32.2 Å²	32.2	23%	0.225	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-85.6	-10.7	165.5	-59.7	-32.1	0	0	0	112	R249 Y278 R281 E548 Q549	R249-D551 IonicContact CZ-OD2 3.69Å; R249-D551 IonicContact NH1-OD2 3.72Å; R249-D551 PolarHBondContact NH1-OD2 3.04Å; R249-D551 IonicContact NH2-OD2 2.63Å; R249-D551 PolarHBondContact NH2-OD2 2.79Å; Y278-D551 PolarHBondContact N-OD1 2.82Å; R281-D551 IonicContact CZ-OD1 2.69Å; R281-D551 VanDerWaalsContact CZ-OD1 3.22Å; R281-D551 IonicContact NH1-OD1 3.16Å; R281-D551 PolarHBondContact NH1-OD1 3.05Å; R281-D551 VanDerWaalsContact NH2-CG 3.31Å; R281-D551 IonicContact NH2-OD1 3.34Å; R281-D551 PolarHBondContact NH2-OD1 2.94Å; R281-D551 IonicContact NH2-OD2 2.74Å; R281-D551 PolarHBondContact NH2-OD2 3.25Å; E548-D551 WeakPolarHBondContact O-CB 3.35Å; E548-D551 PolarHBondContact O-N 3.04Å; Q549-D551 PolarHBondContact O-N 3.44Å; Q549-D551 VanDerWaalsContact O-N 3.17Å
552	G	92.7	Very high	95.6	Very high	31 Å²	31	32.2 Å²	32.2	32%	0.32	21%	0.209	S	C	.	.			trans	80	141.6	179.5	0	0	0	0	0	113.8	Q549 G554 S555	Q549-G552 WeakPolarHBondContact O-CA 3.31Å; Q549-G552 PolarHBondContact O-N 2.9Å; G552-G554 PolarHBondContact O-N 3.41Å; G552-G554 VanDerWaalsContact O-N 3.11Å; G552-S555 WeakPolarHBondContact O-CB 3.29Å; G552-S555 PolarHBondContact O-N 3Å; G552-S555 PolarHBondContact O-OG 2.89Å
553	V	91.1	Very high	95.6	Very high	34 Å²	34	32 Å²	32	21%	0.206	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.2	-177.6	-179.7	0	0	0	0	112.6	S555 L556 L561 D592	V553-S555 PolarHBondContact O-N 2.75Å; V553-L556 WeakPolarHBondContact O-CB 3.44Å; V553-L556 PolarHBondContact O-N 3.32Å; V553-L561 HydrophobicContact CG1-CD1 4.02Å; V553-L561 HydrophobicContact CG1-CD2 3.8Å; V553-D592 HydrophobicContact CG2-CB 3.75Å
554	G	90	Very high	95.5	Very high	63 Å²	63	32.6 Å²	32.6	65%	0.649	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-59.8	-12	172.2	0	0	0	0	0	115.5	G552	G552-G554 PolarHBondContact O-N 3.41Å; G552-G554 VanDerWaalsContact O-N 3.11Å
555	S	92.2	Very high	95.3	Very high	71 Å²	71	31.9 Å²	31.9	50%	0.497	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-80.1	-11.4	171.5	65.1	0	0	0	0	114.3	F547 G552 V553	F547-S555 WeakPolarHBondContact CD2-OG 3.3Å; F547-S555 WeakPolarHBondContact CE2-OG 3.22Å; G552-S555 WeakPolarHBondContact O-CB 3.29Å; G552-S555 PolarHBondContact O-N 3Å; G552-S555 PolarHBondContact O-OG 2.89Å; V553-S555 PolarHBondContact O-N 2.75Å
556	L	94.7	Very high	95.3	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-89.3	147	173.9	-67.2	176	0	0	0	111.9	F547 V553 A560 L561 Y564 K757	F547-L556 HydrophobicContact CB-CD2 3.79Å; F547-L556 HydrophobicContact CD1-CD1 4.21Å; F547-L556 HydrophobicContact CD1-CD2 4.45Å; F547-L556 HydrophobicContact CD2-CD1 4.06Å; F547-L556 HydrophobicContact CD2-CD2 3.67Å; F547-L556 HydrophobicContact CD2-CG 3.61Å; F547-L556 HydrophobicContact CE1-CD1 4.16Å; F547-L556 HydrophobicContact CE2-CD1 4Å; F547-L556 HydrophobicContact CE2-CD2 4.39Å; F547-L556 HydrophobicContact CE2-CG 3.83Å; F547-L556 HydrophobicContact CG-CD1 4.16Å; F547-L556 HydrophobicContact CG-CD2 3.71Å; F547-L556 HydrophobicContact CG-CG 4.01Å; F547-L556 HydrophobicContact CZ-CD1 4.05Å; F547-L556 HydrophobicContact CZ-CG 4.39Å; V553-L556 WeakPolarHBondContact O-CB 3.44Å; V553-L556 PolarHBondContact O-N 3.32Å; L556-A560 HydrophobicContact CD2-CB 4.32Å; L556-L561 HydrophobicContact CD1-CB 4.44Å; L556-L561 HydrophobicContact CD1-CD1 4.1Å; L556-Y564 HydrophobicContact CD1-CD2 4.38Å; L556-Y564 HydrophobicContact CD2-CD2 4.41Å; L556-Y564 HydrophobicContact CD2-CE2 3.88Å; L556-K757 VanDerWaalsContact O-CE 3.22Å; L556-K757 WeakPolarHBondContact O-CE 3.11Å; L556-K757 PolarHBondContact O-NZ 2.97Å
557	S	95.6	Very high	95.3	Very high	63 Å²	63	29.4 Å²	29.4	44%	0.441	19%	0.194	S	C	.	.			trans	-69.3	154.6	161.2	70.5	0	0	0	0	110.4	V559 A560 L561	S557-V559 PolarHBondContact O-N 2.97Å; S557-A560 PolarHBondContact O-N 3.29Å; S557-A560 VanDerWaalsContact O-N 3.15Å; S557-A560 WeakPolarHBondContact OG-CB 3.29Å; S557-A560 PolarHBondContact OG-N 2.75Å; S557-A560 VanDerWaalsContact OG-N 3.1Å; S557-L561 PolarHBondContact O-N 2.96Å
558	D	96.2	Very high	95.1	Very high	26 Å²	26	29.4 Å²	29.4	14%	0.139	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-28.3	176.9	-63.9	-53.8	0	0	0	111.9	T562 L752 F754 N756 K757	D558-T562 VanDerWaalsContact O-CB 3.29Å; D558-T562 WeakPolarHBondContact O-CB 3.42Å; D558-T562 PolarHBondContact O-N 3.17Å; D558-T562 PolarHBondContact O-OG1 3.36Å; D558-L752 HydrophobicContact CB-CD1 4.36Å; D558-F754 HydrophobicContact CB-CB 4.3Å; D558-F754 WeakPolarHBondContact CB-O 3.15Å; D558-N756 PolarHBondContact OD2-N 3.34Å; D558-K757 WeakPolarHBondContact OD1-CA 3.49Å; D558-K757 WeakPolarHBondContact OD1-CD 3.29Å; D558-K757 PolarHBondContact OD1-N 3.22Å; D558-K757 IonicContact OD1-NZ 3.41Å; D558-K757 PolarHBondContact OD1-NZ 2.94Å; D558-K757 IonicContact OD2-NZ 2.88Å; D558-K757 PolarHBondContact OD2-NZ 3.37Å
559	V	97.1	Very high	95	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.085	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-48.5	170.7	-155.5	0	0	0	0	111.1	S557 T562 A563 V669 M750 L752	S557-V559 PolarHBondContact O-N 2.97Å; V559-T562 PolarHBondContact O-N 2.94Å; V559-A563 WeakPolarHBondContact O-CB 3.37Å; V559-A563 PolarHBondContact O-N 2.88Å; V559-V669 HydrophobicContact CB-CG1 4.26Å; V559-V669 HydrophobicContact CG1-CG1 3.66Å; V559-M750 HydrophobicContact CG1-CB 4.33Å; V559-L752 HydrophobicContact CB-CD2 4.17Å; V559-L752 HydrophobicContact CG1-CD2 4.24Å; V559-L752 HydrophobicContact CG2-CD2 3.99Å
560	A	96.8	Very high	95	Very high	10 Å²	10	27.3 Å²	27.3	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-43.7	-179.9	0	0	0	0	0	111.6	L556 S557 T562 A563 Y564	L556-A560 HydrophobicContact CD2-CB 4.32Å; S557-A560 PolarHBondContact O-N 3.29Å; S557-A560 VanDerWaalsContact O-N 3.15Å; S557-A560 WeakPolarHBondContact OG-CB 3.29Å; S557-A560 PolarHBondContact OG-N 2.75Å; S557-A560 VanDerWaalsContact OG-N 3.1Å; A560-T562 VanDerWaalsContact C-N 3.35Å; A560-T562 PolarHBondContact O-N 2.82Å; A560-A563 PolarHBondContact O-N 3.37Å; A560-Y564 HydrophobicContact CB-CD2 4.35Å; A560-Y564 HydrophobicContact CB-CE2 3.76Å; A560-Y564 WeakPolarHBondContact O-CB 3.32Å; A560-Y564 WeakPolarHBondContact O-CD2 3.45Å; A560-Y564 PolarHBondContact O-N 2.8Å
561	L	96.7	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-42.3	175.8	-174.9	60.8	0	0	0	111.7	V553 L556 S557 T565 F754	V553-L561 HydrophobicContact CG1-CD1 4.02Å; V553-L561 HydrophobicContact CG1-CD2 3.8Å; L556-L561 HydrophobicContact CD1-CB 4.44Å; L556-L561 HydrophobicContact CD1-CD1 4.1Å; S557-L561 PolarHBondContact O-N 2.96Å; L561-T565 HydrophobicContact CD1-CG2 4.3Å; L561-T565 WeakPolarHBondContact O-CB 3.38Å; L561-T565 WeakPolarHBondContact O-CG2 3.49Å; L561-T565 PolarHBondContact O-N 2.71Å; L561-T565 VanDerWaalsContact O-N 3.11Å; L561-T565 PolarHBondContact O-OG1 3.13Å; L561-F754 HydrophobicContact CB-CD2 4.21Å; L561-F754 HydrophobicContact CB-CE2 4.48Å; L561-F754 HydrophobicContact CD2-CB 4.35Å; L561-F754 HydrophobicContact CD2-CD1 3.89Å; L561-F754 HydrophobicContact CD2-CD2 3.82Å; L561-F754 HydrophobicContact CD2-CE1 4.06Å; L561-F754 HydrophobicContact CD2-CE2 4.03Å; L561-F754 HydrophobicContact CD2-CG 3.76Å; L561-F754 HydrophobicContact CD2-CZ 4.14Å; L561-F754 HydrophobicContact CG-CD2 3.73Å; L561-F754 HydrophobicContact CG-CE2 3.67Å; L561-F754 HydrophobicContact CG-CG 4.22Å; L561-F754 HydrophobicContact CG-CZ 4.08Å
562	T	97.1	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-45.8	173.9	-56.4	0	0	0	0	111.8	D558 V559 A560 T565 S566 M750 P751 T753 V816	D558-T562 VanDerWaalsContact O-CB 3.29Å; D558-T562 WeakPolarHBondContact O-CB 3.42Å; D558-T562 PolarHBondContact O-N 3.17Å; D558-T562 PolarHBondContact O-OG1 3.36Å; V559-T562 PolarHBondContact O-N 2.94Å; A560-T562 VanDerWaalsContact C-N 3.35Å; A560-T562 PolarHBondContact O-N 2.82Å; T562-T565 PolarHBondContact O-OG1 2.04Å; T562-T565 VanDerWaalsContact O-OG1 3.11Å; T562-S566 VanDerWaalsContact O-CB 3.27Å; T562-S566 WeakPolarHBondContact O-CB 3.23Å; T562-S566 PolarHBondContact O-N 3.06Å; T562-M750 HydrophobicContact CG2-CG 4.22Å; T562-M750 HydrophobicContact CG2-SD 3.89Å; T562-P751 WeakPolarHBondContact CG2-O 3.38Å; T562-T753 HydrophobicContact CG2-CG2 3.98Å; T562-T753 WeakPolarHBondContact CG2-OG1 3.39Å; T562-T753 PolarHBondContact OG1-N 3.42Å; T562-T753 VanDerWaalsContact OG1-N 3.1Å; T562-T753 PolarHBondContact OG1-OG1 3.24Å; T562-V816 HydrophobicContact CG2-CG1 3.76Å; T562-V816 HydrophobicContact CG2-CG2 4.49Å
563	A	97.3	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-51	179.6	0	0	0	0	0	112	V559 A560 T565 S566 F567 V669 M750	V559-A563 WeakPolarHBondContact O-CB 3.37Å; V559-A563 PolarHBondContact O-N 2.88Å; A560-A563 PolarHBondContact O-N 3.37Å; A563-T565 PolarHBondContact O-N 3.17Å; A563-S566 PolarHBondContact O-N 2.95Å; A563-F567 HydrophobicContact CB-CE2 4.32Å; A563-F567 HydrophobicContact CB-CZ 4.25Å; A563-F567 WeakPolarHBondContact O-CD2 3.48Å; A563-F567 WeakPolarHBondContact O-CG 3.16Å; A563-F567 PolarHBondContact O-N 3.27Å; A563-V669 HydrophobicContact CB-CG1 3.79Å; A563-V669 HydrophobicContact CB-CG2 4.33Å; A563-M750 VanDerWaalsContact CA-SD 3.6Å; A563-M750 HydrophobicContact CB-CE 3.66Å; A563-M750 HydrophobicContact CB-SD 3.72Å
564	Y	96.8	Very high	94.6	Very high	13 Å²	13	26.8 Å²	26.8	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-37.1	-175.4	-56	-30.3	0	0	0	112.5	L556 A560 F567 F568 V596 Y608 V610	L556-Y564 HydrophobicContact CD1-CD2 4.38Å; L556-Y564 HydrophobicContact CD2-CD2 4.41Å; L556-Y564 HydrophobicContact CD2-CE2 3.88Å; A560-Y564 HydrophobicContact CB-CD2 4.35Å; A560-Y564 HydrophobicContact CB-CE2 3.76Å; A560-Y564 WeakPolarHBondContact O-CB 3.32Å; A560-Y564 WeakPolarHBondContact O-CD2 3.45Å; A560-Y564 PolarHBondContact O-N 2.8Å; Y564-F567 HydrophobicContact CD1-CD2 4.02Å; Y564-F567 AromaticContact CD1-CE2 3.87Å; Y564-F567 HydrophobicContact CD1-CE2 3.87Å; Y564-F567 HydrophobicContact CE1-CE2 4.33Å; Y564-F568 PolarHBondContact O-N 2.63Å; Y564-V596 HydrophobicContact CD1-CG1 4.21Å; Y564-V596 HydrophobicContact CD1-CG2 4.41Å; Y564-V596 HydrophobicContact CD2-CB 4.42Å; Y564-V596 HydrophobicContact CD2-CG1 4.46Å; Y564-V596 HydrophobicContact CD2-CG2 3.63Å; Y564-V596 HydrophobicContact CE1-CG1 3.83Å; Y564-V596 HydrophobicContact CE2-CB 4.15Å; Y564-V596 HydrophobicContact CE2-CG1 4.08Å; Y564-V596 HydrophobicContact CE2-CG2 3.86Å; Y564-V596 HydrophobicContact CG-CG2 3.93Å; Y564-Y608 AromaticContact CE1-CD1 3.92Å; Y564-Y608 HydrophobicContact CE1-CD1 3.92Å; Y564-Y608 HydrophobicContact CE1-CD2 4.22Å; Y564-Y608 HydrophobicContact CE1-CE1 4.07Å; Y564-Y608 HydrophobicContact CE1-CE2 4.36Å; Y564-Y608 HydrophobicContact CE1-CG 4Å; Y564-V610 HydrophobicContact CD1-CG2 3.95Å; Y564-V610 HydrophobicContact CG-CG2 4.2Å
565	T	95.6	Very high	94.4	Very high	15 Å²	15	24.5 Å²	24.5	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-69.1	-38.1	173.3	53.1	0	0	0	0	112.1	L561 T562 A563 F568 R569 F754	L561-T565 HydrophobicContact CD1-CG2 4.3Å; L561-T565 WeakPolarHBondContact O-CB 3.38Å; L561-T565 WeakPolarHBondContact O-CG2 3.49Å; L561-T565 PolarHBondContact O-N 2.71Å; L561-T565 VanDerWaalsContact O-N 3.11Å; L561-T565 PolarHBondContact O-OG1 3.13Å; T562-T565 PolarHBondContact O-OG1 2.04Å; T562-T565 VanDerWaalsContact O-OG1 3.11Å; A563-T565 PolarHBondContact O-N 3.17Å; T565-F568 PolarHBondContact O-N 2.86Å; T565-R569 WeakPolarHBondContact O-CG 3.43Å; T565-R569 PolarHBondContact O-N 3.42Å; T565-F754 HydrophobicContact CG2-CE2 4.37Å; T565-F754 HydrophobicContact CG2-CZ 4.42Å
566	S	96.8	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-44.5	174.1	-176.8	0	0	0	0	112.8	T562 A563 F568 R569 L570 D817	T562-S566 VanDerWaalsContact O-CB 3.27Å; T562-S566 WeakPolarHBondContact O-CB 3.23Å; T562-S566 PolarHBondContact O-N 3.06Å; A563-S566 PolarHBondContact O-N 2.95Å; S566-F568 PolarHBondContact O-N 2.94Å; S566-R569 PolarHBondContact O-N 3.2Å; S566-L570 WeakPolarHBondContact O-CB 3.14Å; S566-L570 WeakPolarHBondContact O-CG 3.44Å; S566-L570 PolarHBondContact O-N 2.61Å; S566-D817 WeakPolarHBondContact CA-OD1 3.44Å; S566-D817 VanDerWaalsContact CB-OD1 3.29Å; S566-D817 WeakPolarHBondContact CB-OD1 3.29Å; S566-D817 PolarHBondContact OG-OD1 3.09Å
567	F	96.8	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.8	-41.3	173.1	-60.1	-29.9	0	0	0	111.2	A563 Y564 T571 Y608 V610 L627 A629 V820 W824 I826	A563-F567 HydrophobicContact CB-CE2 4.32Å; A563-F567 HydrophobicContact CB-CZ 4.25Å; A563-F567 WeakPolarHBondContact O-CD2 3.48Å; A563-F567 WeakPolarHBondContact O-CG 3.16Å; A563-F567 PolarHBondContact O-N 3.27Å; Y564-F567 HydrophobicContact CD1-CD2 4.02Å; Y564-F567 AromaticContact CD1-CE2 3.87Å; Y564-F567 HydrophobicContact CD1-CE2 3.87Å; Y564-F567 HydrophobicContact CE1-CE2 4.33Å; F567-T571 WeakPolarHBondContact O-CB 3.24Å; F567-T571 PolarHBondContact O-N 3.12Å; F567-T571 PolarHBondContact O-OG1 2.87Å; F567-Y608 AromaticContact CE2-CD2 3.74Å; F567-Y608 HydrophobicContact CE2-CD2 3.74Å; F567-Y608 HydrophobicContact CE2-CE2 4.48Å; F567-Y608 HydrophobicContact CE2-CG 4.36Å; F567-Y608 HydrophobicContact CZ-CD2 4.2Å; F567-V610 HydrophobicContact CD2-CG2 4.08Å; F567-L627 HydrophobicContact CB-CD1 4.01Å; F567-L627 HydrophobicContact CB-CD2 4.36Å; F567-A629 HydrophobicContact CB-CB 4.11Å; F567-A629 HydrophobicContact CD1-CB 3.95Å; F567-A629 HydrophobicContact CD2-CB 3.77Å; F567-A629 HydrophobicContact CE1-CB 4.29Å; F567-A629 HydrophobicContact CE2-CB 4.14Å; F567-A629 HydrophobicContact CG-CB 3.69Å; F567-A629 HydrophobicContact CZ-CB 4.39Å; F567-V820 HydrophobicContact CD1-CG1 3.62Å; F567-V820 HydrophobicContact CE1-CG1 3.6Å; F567-W824 HydrophobicContact CD1-CG 4.5Å; F567-W824 HydrophobicContact CE1-CB 4.1Å; F567-W824 AromaticContact CE1-CD1 3.95Å; F567-W824 AromaticContact CE1-CD2 3.47Å; F567-W824 HydrophobicContact CE1-CD2 3.47Å; F567-W824 VanDerWaalsContact CE1-CD2 3.47Å; F567-W824 AromaticContact CE1-CE2 3.89Å; F567-W824 AromaticContact CE1-CE3 3.81Å; F567-W824 HydrophobicContact CE1-CE3 3.81Å; F567-W824 AromaticContact CE1-CG 3.57Å; F567-W824 HydrophobicContact CE1-CG 3.57Å; F567-W824 AromaticContact CZ-CD2 3.6Å; F567-W824 HydrophobicContact CZ-CD2 3.6Å; F567-W824 AromaticContact CZ-CE2 3.71Å; F567-W824 AromaticContact CZ-CE3 3.68Å; F567-W824 HydrophobicContact CZ-CE3 3.68Å; F567-W824 HydrophobicContact CZ-CG 4.2Å; F567-W824 HydrophobicContact CZ-CH2 4.09Å; F567-W824 AromaticContact CZ-CZ2 3.96Å; F567-W824 HydrophobicContact CZ-CZ2 3.96Å; F567-W824 AromaticContact CZ-CZ3 3.94Å; F567-W824 HydrophobicContact CZ-CZ3 3.94Å; F567-I826 HydrophobicContact CB-CD1 4.2Å
568	F	94.3	Very high	92.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-45.8	178.9	-148.7	-80	0	0	0	112.8	Y564 T565 S566 L570 T571 L572 P589 V610 Q612 V614 L625 L627	Y564-F568 PolarHBondContact O-N 2.63Å; T565-F568 PolarHBondContact O-N 2.86Å; S566-F568 PolarHBondContact O-N 2.94Å; F568-L570 PolarHBondContact O-N 3.18Å; F568-T571 WeakPolarHBondContact O-CB 3.29Å; F568-T571 PolarHBondContact O-N 2.85Å; F568-L572 HydrophobicContact CD1-CD1 3.98Å; F568-L572 HydrophobicContact CD1-CD2 4.48Å; F568-L572 HydrophobicContact CD1-CG 3.96Å; F568-L572 HydrophobicContact CE1-CD1 3.83Å; F568-L572 HydrophobicContact CE1-CD2 3.84Å; F568-L572 HydrophobicContact CE1-CG 3.79Å; F568-L572 PolarHBondContact O-N 3.33Å; F568-P589 HydrophobicContact CD1-CB 4.27Å; F568-V610 HydrophobicContact CD2-CG1 4.45Å; F568-Q612 HydrophobicContact CD2-CB 3.63Å; F568-Q612 HydrophobicContact CD2-CG 4.41Å; F568-Q612 VanDerWaalsContact CD2-OE1 3.29Å; F568-Q612 HydrophobicContact CE2-CB 3.44Å; F568-Q612 VanDerWaalsContact CE2-CB 3.44Å; F568-Q612 HydrophobicContact CE2-CG 4.48Å; F568-Q612 HydrophobicContact CG-CB 4.34Å; F568-Q612 HydrophobicContact CZ-CB 3.96Å; F568-V614 HydrophobicContact CE1-CG1 3.34Å; F568-V614 HydrophobicContact CZ-CG1 3.39Å; F568-L625 HydrophobicContact CZ-CB 4.14Å; F568-L627 HydrophobicContact CB-CD2 3.99Å; F568-L627 HydrophobicContact CD2-CD2 3.35Å; F568-L627 HydrophobicContact CE2-CD2 3.98Å; F568-L627 HydrophobicContact CG-CD2 3.95Å
569	R	94	Very high	91	Very high	53 Å²	53	34 Å²	34	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-45.5	175.1	-69.2	-170.6	-57	-107.1	-7	112.2	T565 S566 T571 L572 K573 D813 D817	T565-R569 WeakPolarHBondContact O-CG 3.43Å; T565-R569 PolarHBondContact O-N 3.42Å; S566-R569 PolarHBondContact O-N 3.2Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 3.44Å; R569-L572 PolarHBondContact O-N 2.69Å; R569-K573 WeakPolarHBondContact O-CB 3.21Å; R569-K573 PolarHBondContact O-N 3.31Å; R569-D813 IonicContact CZ-OD1 3.97Å; R569-D813 VanDerWaalsContact CZ-OD1 3.25Å; R569-D813 IonicContact NE-OD1 3.61Å; R569-D813 IonicContact NH1-OD1 2.77Å; R569-D813 PolarHBondContact NH1-OD1 3.46Å; R569-D813 IonicContact NH2-OD1 3.02Å; R569-D817 VanDerWaalsContact CB-OD2 3.28Å; R569-D817 WeakPolarHBondContact CB-OD2 3.26Å; R569-D817 IonicContact CZ-OD1 2.6Å; R569-D817 VanDerWaalsContact CZ-OD1 3.29Å; R569-D817 IonicContact CZ-OD2 3.25Å; R569-D817 IonicContact NE-OD1 3.25Å; R569-D817 PolarHBondContact NE-OD1 3.14Å; R569-D817 IonicContact NE-OD2 2.96Å; R569-D817 PolarHBondContact NE-OD2 3.43Å; R569-D817 IonicContact NH2-OD1 2.78Å; R569-D817 PolarHBondContact NH2-OD1 3.32Å; R569-D817 IonicContact NH2-OD2 2.68Å
570	L	94.9	Very high	88.8	Confident	28 Å²	28	38 Å²	38	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-39.6	176.4	-76.5	171.1	0	0	0	112.2	S566 F568 K573 G574 D817 V820 I826	S566-L570 WeakPolarHBondContact O-CB 3.14Å; S566-L570 WeakPolarHBondContact O-CG 3.44Å; S566-L570 PolarHBondContact O-N 2.61Å; F568-L570 PolarHBondContact O-N 3.18Å; L570-K573 PolarHBondContact O-N 2.83Å; L570-G574 PolarHBondContact O-N 3.13Å; L570-D817 HydrophobicContact CD2-CB 3.93Å; L570-D817 HydrophobicContact CG-CB 4.08Å; L570-V820 HydrophobicContact CD1-CB 3.95Å; L570-V820 HydrophobicContact CD1-CG1 3.61Å; L570-I826 HydrophobicContact CB-CD1 4.15Å; L570-I826 HydrophobicContact CB-CG1 3.83Å
571	T	93.6	Very high	86.8	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-48.2	178.5	-57.1	0	0	0	0	112.1	F567 F568 R569 K573 G574 L575 L627 I826 L829	F567-T571 WeakPolarHBondContact O-CB 3.24Å; F567-T571 PolarHBondContact O-N 3.12Å; F567-T571 PolarHBondContact O-OG1 2.87Å; F568-T571 WeakPolarHBondContact O-CB 3.29Å; F568-T571 PolarHBondContact O-N 2.85Å; R569-T571 VanDerWaalsContact C-N 3.31Å; R569-T571 PolarHBondContact O-N 3.44Å; T571-K573 VanDerWaalsContact C-N 3.31Å; T571-K573 PolarHBondContact O-N 2.91Å; T571-G574 PolarHBondContact O-N 2.82Å; T571-L575 PolarHBondContact O-N 2.88Å; T571-L627 HydrophobicContact CG2-CB 3.94Å; T571-L627 WeakPolarHBondContact OG1-CD2 3.28Å; T571-I826 HydrophobicContact CG2-CG2 3.94Å; T571-I826 WeakPolarHBondContact OG1-CG2 3.19Å; T571-L829 HydrophobicContact CG2-CB 4.25Å; T571-L829 HydrophobicContact CG2-CD1 3.87Å; T571-L829 HydrophobicContact CG2-CD2 3.98Å; T571-L829 HydrophobicContact CG2-CG 4.25Å
572	L	91.6	Very high	85.3	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-39.4	176.8	-64	-173.1	0	0	0	112.1	F568 R569 L575 M576 F587	F568-L572 HydrophobicContact CD1-CD1 3.98Å; F568-L572 HydrophobicContact CD1-CD2 4.48Å; F568-L572 HydrophobicContact CD1-CG 3.96Å; F568-L572 HydrophobicContact CE1-CD1 3.83Å; F568-L572 HydrophobicContact CE1-CD2 3.84Å; F568-L572 HydrophobicContact CE1-CG 3.79Å; F568-L572 PolarHBondContact O-N 3.33Å; R569-L572 PolarHBondContact O-N 2.69Å; L572-L575 PolarHBondContact O-N 3.34Å; L572-M576 WeakPolarHBondContact O-CG 3.46Å; L572-M576 PolarHBondContact O-N 2.69Å; L572-M576 VanDerWaalsContact O-N 3.08Å; L572-F587 HydrophobicContact CD1-CB 4.36Å; L572-F587 HydrophobicContact CD2-CB 3.91Å; L572-F587 HydrophobicContact CD2-CD2 4.44Å
573	K	89.7	Confident	84.2	Confident	135 Å²	135	54.1 Å²	54.1	59%	0.587	29%	0.293	S	S	*	.	H	α-helix	trans	-64.2	-38.9	175	-172.1	-178.6	-179.9	-176.4	0	112.4	R569 L570 T571 M576 T577	R569-K573 WeakPolarHBondContact O-CB 3.21Å; R569-K573 PolarHBondContact O-N 3.31Å; L570-K573 PolarHBondContact O-N 2.83Å; T571-K573 VanDerWaalsContact C-N 3.31Å; T571-K573 PolarHBondContact O-N 2.91Å; K573-M576 PolarHBondContact O-N 2.93Å; K573-T577 PolarHBondContact O-N 3.31Å; K573-T577 VanDerWaalsContact O-N 3.14Å; K573-T577 PolarHBondContact O-OG1 2.63Å
574	G	88.8	Confident	83.3	Confident	33 Å²	33	55.8 Å²	55.8	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-40.6	174.1	0	0	0	0	0	112.9	L570 T571 T577 S578	L570-G574 PolarHBondContact O-N 3.13Å; T571-G574 PolarHBondContact O-N 2.82Å; G574-T577 WeakPolarHBondContact CA-OG1 3.47Å; G574-T577 PolarHBondContact O-N 2.93Å; G574-T577 PolarHBondContact O-OG1 3.23Å; G574-T577 VanDerWaalsContact O-OG1 3.1Å; G574-S578 WeakPolarHBondContact O-CB 3.49Å; G574-S578 PolarHBondContact O-N 3.46Å; G574-S578 VanDerWaalsContact O-N 3.08Å; G574-S578 PolarHBondContact O-OG 2.95Å
575	L	86.4	Confident	82.7	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175	-173.9	64.8	0	0	0	111.5	T571 L572 T577 S578 Q579 C585 F587 L829 V840	T571-L575 PolarHBondContact O-N 2.88Å; L572-L575 PolarHBondContact O-N 3.34Å; L575-T577 VanDerWaalsContact C-N 3.29Å; L575-T577 PolarHBondContact O-N 2.04Å; L575-S578 PolarHBondContact O-N 2.75Å; L575-S578 PolarHBondContact O-OG 3.15Å; L575-Q579 HydrophobicContact CD1-CG 3.87Å; L575-Q579 PolarHBondContact O-N 3.41Å; L575-C585 HydrophobicContact CD2-CB 4.28Å; L575-C585 WeakPolarHBondContact CD2-O 3.25Å; L575-C585 HydrophobicContact CG-CB 4.41Å; L575-F587 HydrophobicContact CD2-CD2 3.92Å; L575-F587 HydrophobicContact CD2-CE2 3.89Å; L575-L829 HydrophobicContact CD2-CD2 3.98Å; L575-V840 HydrophobicContact CD1-CG2 4.46Å; L575-V840 HydrophobicContact CD2-CG2 4.21Å
576	M	83.2	Confident	82.4	Confident	104 Å²	104	59.4 Å²	59.4	51%	0.512	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-27.4	177.5	-70.7	-174.7	71.3	0	0	114.2	L572 K573 R586	L572-M576 WeakPolarHBondContact O-CG 3.46Å; L572-M576 PolarHBondContact O-N 2.69Å; L572-M576 VanDerWaalsContact O-N 3.08Å; K573-M576 PolarHBondContact O-N 2.93Å; M576-R586 HydrophobicContact CE-CG 4.07Å; M576-R586 HydrophobicContact SD-CG 4.2Å
577	T	80.7	Confident	82.1	Confident	115 Å²	115	59.9 Å²	59.9	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-88.4	-20.3	179.3	45	0	0	0	0	113.6	K573 G574 L575	K573-T577 PolarHBondContact O-N 3.31Å; K573-T577 VanDerWaalsContact O-N 3.14Å; K573-T577 PolarHBondContact O-OG1 2.63Å; G574-T577 WeakPolarHBondContact CA-OG1 3.47Å; G574-T577 PolarHBondContact O-N 2.93Å; G574-T577 PolarHBondContact O-OG1 3.23Å; G574-T577 VanDerWaalsContact O-OG1 3.1Å; L575-T577 VanDerWaalsContact C-N 3.29Å; L575-T577 PolarHBondContact O-N 2.04Å
578	S	74.9	Confident	81.8	Confident	77 Å²	77	65.3 Å²	65.3	54%	0.538	35%	0.347	S	S	.	.	H	α-helix	trans	-93.1	-40.3	177.1	51.3	0	0	0	0	113	G574 L575 S580	G574-S578 WeakPolarHBondContact O-CB 3.49Å; G574-S578 PolarHBondContact O-N 3.46Å; G574-S578 VanDerWaalsContact O-N 3.08Å; G574-S578 PolarHBondContact O-OG 2.95Å; L575-S578 PolarHBondContact O-N 2.75Å; L575-S578 PolarHBondContact O-OG 3.15Å; S578-S580 PolarHBondContact O-N 3.38Å
579	Q	67.8	Low	81.7	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.364	37%	0.368	S	S	.	.	S	Bend	trans	-93.6	82.3	179.5	-60.4	-58.7	-30.7	0	0	110.9	L575 Q581 A839	L575-Q579 HydrophobicContact CD1-CG 3.87Å; L575-Q579 PolarHBondContact O-N 3.41Å; Q579-Q581 PolarHBondContact O-N 3.23Å; Q579-Q581 VanDerWaalsContact O-N 3.13Å; Q579-A839 HydrophobicContact CG-CB 3.76Å
580	S	50.7	Low	81.6	Confident	100 Å²	100	67 Å²	67	70%	0.699	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	115.5	-177.8	-160.3	0	0	0	0	111.9	S578 T582	S578-S580 PolarHBondContact O-N 3.38Å; S580-T582 PolarHBondContact O-N 3.47Å
581	Q	55.2	Low	81.3	Confident	189 Å²	189	68.4 Å²	68.4	88%	0.883	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	15.9	168.1	-55.3	-174.5	-5.9	0	0	118.6	Q579 E583	Q579-Q581 PolarHBondContact O-N 3.23Å; Q579-Q581 VanDerWaalsContact O-N 3.13Å; Q581-E583 PolarHBondContact O-N 3.09Å
582	T	65.9	Low	81.2	Confident	62 Å²	62	71.1 Å²	71.1	38%	0.38	40%	0.402	S	S	.	.			trans	-89.8	95.5	163.7	48.3	0	0	0	0	111.8	S580 A584 C585	S580-T582 PolarHBondContact O-N 3.47Å; T582-A584 PolarHBondContact O-N 2.91Å; T582-C585 WeakPolarHBondContact O-CB 3.4Å; T582-C585 PolarHBondContact O-N 3.07Å
583	E	73.4	Confident	81.3	Confident	97 Å²	97	70.4 Å²	70.4	45%	0.453	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.2	174.1	-72.6	-75.8	173.5	0	0	112.7	Q581 C585 R586	Q581-E583 PolarHBondContact O-N 3.09Å; E583-C585 PolarHBondContact O-N 2.82Å; E583-C585 VanDerWaalsContact O-N 3.09Å; E583-R586 WeakPolarHBondContact O-CB 3.35Å; E583-R586 PolarHBondContact O-N 3.26Å; E583-R586 IonicContact OE1-NH1 3.71Å; E583-R586 PolarHBondContact OE1-NH1 2.88Å; E583-R586 WeakPolarHBondContact OE2-CD 3.47Å; E583-R586 IonicContact OE2-CZ 3.33Å; E583-R586 IonicContact OE2-NE 2.8Å; E583-R586 IonicContact OE2-NH1 3.58Å; E583-R586 PolarHBondContact OE2-NH1 2.86Å
584	A	78.3	Confident	81.7	Confident	35 Å²	35	65.7 Å²	65.7	29%	0.289	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-59.2	-17	171.1	0	0	0	0	0	114.7	T582 E618	T582-A584 PolarHBondContact O-N 2.91Å; A584-E618 PolarHBondContact N-OE2 3.5Å
585	C	84.9	Confident	82.1	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.041	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-99.4	7.3	173.6	-67.4	0	0	0	0	113.8	L575 T582 E583 F587 C837	L575-C585 HydrophobicContact CD2-CB 4.28Å; L575-C585 WeakPolarHBondContact CD2-O 3.25Å; L575-C585 HydrophobicContact CG-CB 4.41Å; T582-C585 WeakPolarHBondContact O-CB 3.4Å; T582-C585 PolarHBondContact O-N 3.07Å; E583-C585 PolarHBondContact O-N 2.82Å; E583-C585 VanDerWaalsContact O-N 3.09Å; C585-F587 VanDerWaalsContact O-CD2 3.28Å; C585-F587 WeakPolarHBondContact O-CD2 3.09Å; C585-C837 HydrophobicContact CB-CB 3.87Å; C585-C837 WeakPolarHBondContact CB-SG 3.22Å; C585-C837 VanDerWaalsContact SG-CA 3.53Å; C585-C837 WeakPolarHBondContact SG-CB 3.23Å; C585-C837 CovalentContact SG-SG 2.04Å; C585-C837 PolarHBondContact SG-SG 3.42Å
586	R	88.8	Confident	82.7	Confident	97 Å²	97	63.3 Å²	63.3	37%	0.366	36%	0.36	S	S	.	.			trans	-91.1	114.9	178.1	-170.8	-178.2	178.8	169.1	-0.4	110.4	M576 E583 V617	M576-R586 HydrophobicContact CE-CG 4.07Å; M576-R586 HydrophobicContact SD-CG 4.2Å; E583-R586 WeakPolarHBondContact O-CB 3.35Å; E583-R586 PolarHBondContact O-N 3.26Å; E583-R586 IonicContact OE1-NH1 3.71Å; E583-R586 PolarHBondContact OE1-NH1 2.88Å; E583-R586 WeakPolarHBondContact OE2-CD 3.47Å; E583-R586 IonicContact OE2-CZ 3.33Å; E583-R586 IonicContact OE2-NE 2.8Å; E583-R586 IonicContact OE2-NH1 3.58Å; E583-R586 PolarHBondContact OE2-NH1 2.86Å; R586-V617 HydrophobicContact CB-CB 4.41Å; R586-V617 HydrophobicContact CB-CG2 4.43Å; R586-V617 HydrophobicContact CG-CB 4.18Å; R586-V617 HydrophobicContact CG-CG2 3.82Å; R586-V617 PolarHBondContact O-N 3.02Å
587	F	90.6	Very high	83.4	Confident	11 Å²	11	58.8 Å²	58.8	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152	-178	-60.4	-77.7	0	0	0	111.8	L572 L575 C585 V614 R615 L625 C837	L572-F587 HydrophobicContact CD1-CB 4.36Å; L572-F587 HydrophobicContact CD2-CB 3.91Å; L572-F587 HydrophobicContact CD2-CD2 4.44Å; L575-F587 HydrophobicContact CD2-CD2 3.92Å; L575-F587 HydrophobicContact CD2-CE2 3.89Å; C585-F587 VanDerWaalsContact O-CD2 3.28Å; C585-F587 WeakPolarHBondContact O-CD2 3.09Å; F587-V614 HydrophobicContact CB-CB 4.1Å; F587-V614 HydrophobicContact CB-CG2 4.21Å; F587-V614 HydrophobicContact CD1-CB 4.27Å; F587-V614 HydrophobicContact CD1-CG2 3.54Å; F587-V614 HydrophobicContact CE1-CG2 4.13Å; F587-V614 HydrophobicContact CG-CB 4.45Å; F587-V614 HydrophobicContact CG-CG2 4.02Å; F587-R615 CarbonylContact C-O 3.56Å; F587-R615 WeakPolarHBondContact CA-O 3.02Å; F587-L625 HydrophobicContact CD2-CD1 4.31Å; F587-L625 HydrophobicContact CE2-CD1 4.42Å; F587-C837 HydrophobicContact CE2-CB 3.83Å; F587-C837 HydrophobicContact CZ-CB 3.76Å
588	E	91.2	Very high	84.3	Confident	113 Å²	113	53.7 Å²	53.7	53%	0.528	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.7	167.1	-66.9	179.6	157.2	0	0	109.2	V614 R615 V617	E588-V614 CarbonylContact O-C 3.47Å; E588-V614 VanDerWaalsContact O-CA 3.29Å; E588-V614 WeakPolarHBondContact O-CA 3.49Å; E588-R615 PolarHBondContact N-O 2.98Å; E588-R615 PolarHBondContact O-N 3.12Å; E588-V617 HydrophobicContact CG-CG2 3.82Å
589	P	91.6	Very high	85.4	Confident	68 Å²	68	50.5 Å²	50.5	44%	0.442	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	139.3	178.8	29.3	-33.7	0	0	0	111.1	F568	F568-P589 HydrophobicContact CD1-CB 4.27Å
590	A	90.7	Very high	86.9	Confident	24 Å²	24	47.2 Å²	47.2	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	96.4	-175	0	0	0	0	0	111.5	E613	A590-E613 HydrophobicContact CB-CB 4.22Å; A590-E613 HydrophobicContact CB-CG 4.35Å; A590-E613 VanDerWaalsContact CB-OE1 3.28Å; A590-E613 WeakPolarHBondContact CB-OE1 3.34Å; A590-E613 PolarHBondContact N-O 2.7Å
591	G	88.5	Confident	89.1	Confident	57 Å²	57	47.7 Å²	47.7	59%	0.588	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	72.8	-167.1	-176.1	0	0	0	0	0	113.1	Q612	G591-Q612 PolarHBondContact O-NE2 2.91Å
592	D	91.4	Very high	91.1	Very high	62 Å²	62	42.1 Å²	42.1	33%	0.332	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	166.9	-178.7	-57.2	-74.5	0	0	0	113.3	V553	V553-D592 HydrophobicContact CG2-CB 3.75Å
593	P	95.6	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	142.9	170.4	-29.3	37	0	0	0	113.2	F547 V596 V610	F547-P593 HydrophobicContact CE1-CB 4.37Å; F547-P593 WeakPolarHBondContact CE1-O 3.49Å; P593-V596 HydrophobicContact CB-CG2 4.36Å; P593-V610 HydrophobicContact CB-CG1 4.21Å; P593-V610 HydrophobicContact CG-CG1 4.29Å
594	L	96.8	Very high	93.7	Very high	35 Å²	35	45.4 Å²	45.4	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-36.1	175.2	-61.8	178.7	0	0	0	111.8	Q549 R611 E613 T624	Q549-L594 WeakPolarHBondContact CB-O 3.38Å; Q549-L594 PolarHBondContact N-O 2.86Å; L594-R611 WeakPolarHBondContact CA-O 3.42Å; L594-R611 WeakPolarHBondContact CB-O 3.44Å; L594-R611 PolarHBondContact N-O 3.08Å; L594-E613 HydrophobicContact CD1-CB 4.37Å; L594-T624 HydrophobicContact CD1-CG2 3.68Å
595	S	97.8	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	152.3	176	59.7	0	0	0	0	111.4	F547 E548 R611	F547-S595 CarbonylContact O-C 3.6Å; F547-S595 WeakPolarHBondContact O-CA 3.47Å; F547-S595 WeakPolarHBondContact O-CB 3.19Å; E548-S595 VanDerWaalsContact CD-CB 3.45Å; E548-S595 WeakPolarHBondContact OE1-CB 3.35Å; E548-S595 VanDerWaalsContact OE2-CB 3.22Å; E548-S595 WeakPolarHBondContact OE2-CB 3.08Å; S595-R611 PolarHBondContact N-O 3.34Å; S595-R611 PolarHBondContact O-N 3.1Å; S595-R611 WeakPolarHBondContact OG-CB 3.42Å; S595-R611 PolarHBondContact OG-NE 2.77Å; S595-R611 PolarHBondContact OG-NH2 3.19Å
596	V	98.4	Very high	95.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.3	173.1	-176.4	0	0	0	0	110.8	S545 V546 F547 Y564 P593 Y608 L609 V610	S545-V596 CarbonylContact C-O 3.58Å; S545-V596 WeakPolarHBondContact CA-O 3.2Å; V546-V596 HydrophobicContact CG2-CB 4.08Å; V546-V596 HydrophobicContact CG2-CG1 3.92Å; V546-V596 VanDerWaalsContact CG2-O 3.32Å; V546-V596 WeakPolarHBondContact CG2-O 3.22Å; V546-V596 PolarHBondContact N-O 2.63Å; F547-V596 HydrophobicContact CB-CB 4.34Å; F547-V596 HydrophobicContact CD1-CG2 4.37Å; F547-V596 PolarHBondContact N-O 3Å; F547-V596 PolarHBondContact O-N 3.45Å; Y564-V596 HydrophobicContact CD1-CG1 4.21Å; Y564-V596 HydrophobicContact CD1-CG2 4.41Å; Y564-V596 HydrophobicContact CD2-CB 4.42Å; Y564-V596 HydrophobicContact CD2-CG1 4.46Å; Y564-V596 HydrophobicContact CD2-CG2 3.63Å; Y564-V596 HydrophobicContact CE1-CG1 3.83Å; Y564-V596 HydrophobicContact CE2-CB 4.15Å; Y564-V596 HydrophobicContact CE2-CG1 4.08Å; Y564-V596 HydrophobicContact CE2-CG2 3.86Å; Y564-V596 HydrophobicContact CG-CG2 3.93Å; P593-V596 HydrophobicContact CB-CG2 4.36Å; V596-Y608 HydrophobicContact CG1-CD1 3.92Å; V596-Y608 HydrophobicContact CG1-CG 4.45Å; V596-L609 VanDerWaalsContact CA-O 3.29Å; V596-L609 WeakPolarHBondContact CA-O 3.22Å; V596-V610 HydrophobicContact CG1-CG2 4.11Å; V596-V610 HydrophobicContact CG2-CB 4.44Å; V596-V610 HydrophobicContact CG2-CG1 4.2Å; V596-V610 HydrophobicContact CG2-CG2 4.05Å
597	H	98.7	Very high	95.7	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.8	176	-69.1	67.8	0	0	0	111.2	E544 S545 E548 Y608 L609	E544-H597 CarbonylContact O-C 3.54Å; E544-H597 VanDerWaalsContact O-CA 3.3Å; E544-H597 WeakPolarHBondContact O-CA 3.42Å; S545-H597 PolarHBondContact N-CD2 3.05Å; E548-H597 IonicContact OE1-CE1 3.98Å; H597-Y608 CarbonylContact O-C 3.59Å; H597-Y608 WeakPolarHBondContact O-CA 3.41Å; H597-L609 HydrophobicContact CB-CB 4.29Å; H597-L609 PolarHBondContact N-O 2.9Å; H597-L609 PolarHBondContact O-N 2.79Å
598	L	98.6	Very high	96	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.1	155.1	-58.4	168.8	0	0	0	108.1	W543 E544 V546 F600 F605 Y608 F666	W543-L598 WeakPolarHBondContact CA-O 3.4Å; E544-L598 PolarHBondContact N-O 3.43Å; E544-L598 VanDerWaalsContact N-O 3.11Å; E544-L598 PolarHBondContact O-N 3.41Å; V546-L598 HydrophobicContact CG1-CD1 3.79Å; V546-L598 HydrophobicContact CG1-CD2 4.35Å; V546-L598 HydrophobicContact CG1-CG 3.71Å; L598-F600 HydrophobicContact CB-CD2 4.26Å; L598-F600 HydrophobicContact CB-CE2 3.66Å; L598-F600 HydrophobicContact CD1-CE2 4.12Å; L598-F600 HydrophobicContact CG-CE2 4.47Å; L598-F605 HydrophobicContact CB-CE2 4.11Å; L598-F605 HydrophobicContact CD2-CD2 4.45Å; L598-F605 HydrophobicContact CD2-CE2 3.53Å; L598-F605 HydrophobicContact CD2-CZ 4.03Å; L598-F605 HydrophobicContact CG-CE2 4.42Å; L598-Y608 HydrophobicContact CD2-CD1 3.97Å; L598-Y608 HydrophobicContact CD2-CE1 3.52Å; L598-F666 HydrophobicContact CD1-CD2 3.68Å; L598-F666 HydrophobicContact CD1-CE2 4.04Å; L598-F666 HydrophobicContact CD2-CB 4.21Å; L598-F666 HydrophobicContact CD2-CD2 4.35Å
599	Y	98.6	Very high	96.4	Very high	10 Å²	10	37.8 Å²	37.8	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.2	169.8	178.4	-140.1	0	0	0	110	A541 W543 F605 Q606 G607 L609 W628 T847 W848	A541-Y599 HydrophobicContact CB-CE2 4.11Å; W543-Y599 AromaticContact CD1-CD2 3.63Å; W543-Y599 HydrophobicContact CD2-CD2 4.3Å; W543-Y599 AromaticContact CE2-CD2 3.69Å; W543-Y599 AromaticContact CE2-CE2 3.67Å; W543-Y599 HydrophobicContact CG-CD2 4.29Å; W543-Y599 HydrophobicContact CZ2-CD2 4.27Å; W543-Y599 AromaticContact CZ2-CE2 3.76Å; W543-Y599 HydrophobicContact CZ2-CE2 3.76Å; W543-Y599 AromaticContact NE1-CD2 3.21Å; W543-Y599 AromaticContact NE1-CE2 3.59Å; Y599-F605 WeakPolarHBondContact O-CD2 3.37Å; Y599-Q606 HydrophobicContact CD1-CB 3.37Å; Y599-Q606 HydrophobicContact CD1-CG 3.89Å; Y599-Q606 HydrophobicContact CE1-CB 3.85Å; Y599-Q606 HydrophobicContact CE1-CG 3.95Å; Y599-Q606 HydrophobicContact CG-CB 3.97Å; Y599-Q606 HydrophobicContact CG-CG 4.4Å; Y599-Q606 PolarHBondContact O-N 2.88Å; Y599-G607 PolarHBondContact N-O 3.29Å; Y599-L609 HydrophobicContact CD1-CD2 4.37Å; Y599-L609 HydrophobicContact CG-CD2 4.44Å; Y599-W628 AromaticContact CD1-CE2 3.97Å; Y599-W628 HydrophobicContact CD1-CZ2 4.23Å; Y599-W628 AromaticContact CD1-NE1 3.9Å; Y599-W628 HydrophobicContact CE1-CH2 4.4Å; Y599-W628 HydrophobicContact CE1-CZ2 4.01Å; Y599-T847 PolarHBondContact OH-O 2.94Å; Y599-W848 HydrophobicContact CD1-CB 4.41Å; Y599-W848 HydrophobicContact CE1-CB 3.66Å
600	F	98.6	Very high	96.7	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.039	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.4	172.8	-65.2	-103.4	0	0	0	109.6	T515 A541 Y542 L598 R604 F605 F666	T515-F600 HydrophobicContact CG2-CD2 4.48Å; T515-F600 HydrophobicContact CG2-CE2 3.7Å; T515-F600 HydrophobicContact CG2-CZ 3.95Å; A541-F600 CarbonylContact C-O 3.57Å; A541-F600 WeakPolarHBondContact CA-O 3.45Å; Y542-F600 HydrophobicContact CD1-CD2 4.16Å; Y542-F600 PolarHBondContact N-O 2.92Å; Y542-F600 PolarHBondContact O-N 3.22Å; L598-F600 HydrophobicContact CB-CD2 4.26Å; L598-F600 HydrophobicContact CB-CE2 3.66Å; L598-F600 HydrophobicContact CD1-CE2 4.12Å; L598-F600 HydrophobicContact CG-CE2 4.47Å; F600-R604 VanDerWaalsContact CA-O 3.29Å; F600-R604 WeakPolarHBondContact CA-O 3.39Å; F600-F605 HydrophobicContact CD1-CB 4.05Å; F600-F605 HydrophobicContact CE1-CB 3.81Å; F600-F605 HydrophobicContact CE1-CD2 4.13Å; F600-F605 HydrophobicContact CE1-CG 4.44Å; F600-F605 HydrophobicContact CE2-CD2 4.18Å; F600-F605 HydrophobicContact CZ-CB 4.44Å; F600-F605 AromaticContact CZ-CD2 3.96Å; F600-F605 HydrophobicContact CZ-CD2 3.96Å; F600-F666 HydrophobicContact CE1-CD1 4Å; F600-F666 AromaticContact CE1-CE1 3.97Å; F600-F666 HydrophobicContact CE1-CE1 3.97Å; F600-F666 AromaticContact CZ-CD1 3.73Å; F600-F666 HydrophobicContact CZ-CD1 3.73Å; F600-F666 HydrophobicContact CZ-CD2 4.31Å; F600-F666 AromaticContact CZ-CE1 3.72Å; F600-F666 HydrophobicContact CZ-CE1 3.72Å; F600-F666 HydrophobicContact CZ-CE2 4.3Å; F600-F666 HydrophobicContact CZ-CG 4.04Å; F600-F666 HydrophobicContact CZ-CZ 4.02Å
601	Y	97.9	Very high	97	Very high	110 Å²	110	35.7 Å²	35.7	43%	0.431	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	128.5	170.7	-172.6	-82.7	0	0	0	108.8	K540 A541 D603 R604 Q606	K540-Y601 HydrophobicContact CB-CD2 4.49Å; K540-Y601 HydrophobicContact CB-CE1 4.33Å; K540-Y601 HydrophobicContact CB-CE2 4.12Å; K540-Y601 HydrophobicContact CD-CE1 4.35Å; A541-Y601 HydrophobicContact CB-CD2 4.21Å; Y601-D603 VanDerWaalsContact C-N 3.34Å; Y601-D603 PolarHBondContact O-N 2.87Å; Y601-R604 PolarHBondContact N-O 3.37Å; Y601-R604 PolarHBondContact O-N 3.42Å; Y601-Q606 PolarHBondContact O-NE2 2.99Å
602	D	97.2	Very high	97.4	Very high	72 Å²	72	33.2 Å²	33.2	39%	0.385	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	48.5	-179.9	-146.8	16.5	0	0	0	113	K540 R604	K540-D602 HydrophobicContact CD-CB 4.25Å; K540-D602 IonicContact NZ-OD1 2.82Å; K540-D602 PolarHBondContact NZ-OD1 2.81Å; K540-D602 IonicContact NZ-OD2 2.79Å; K540-D602 PolarHBondContact NZ-OD2 2.84Å; K540-D602 PolarHBondContact O-N 2.88Å; D602-R604 PolarHBondContact O-N 2.84Å; D602-R604 VanDerWaalsContact O-N 3.09Å
603	D	97.6	Very high	97.6	Very high	52 Å²	52	32.1 Å²	32.1	28%	0.278	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	20	-175.2	-72	-8.1	0	0	0	116.1	N517 Q518 E519 Y601	N517-D603 WeakPolarHBondContact CA-OD2 3.49Å; N517-D603 VanDerWaalsContact CG-OD2 3.29Å; N517-D603 PolarHBondContact ND2-OD2 3.23Å; Q518-D603 WeakPolarHBondContact CB-OD1 3.28Å; Q518-D603 VanDerWaalsContact N-CG 3.33Å; Q518-D603 PolarHBondContact N-OD1 3.4Å; Q518-D603 PolarHBondContact N-OD2 2.87Å; Q518-D603 VanDerWaalsContact N-OD2 3.11Å; E519-D603 PolarHBondContact N-OD2 3.02Å; Y601-D603 VanDerWaalsContact C-N 3.34Å; Y601-D603 PolarHBondContact O-N 2.87Å
604	R	96.6	Very high	97.6	Very high	177 Å²	177	32.1 Å²	32.1	67%	0.668	14%	0.14	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.4	171.4	-58.6	176.4	-160.8	-158	4	110.2	F600 Y601 D602 Q606	F600-R604 VanDerWaalsContact CA-O 3.29Å; F600-R604 WeakPolarHBondContact CA-O 3.39Å; Y601-R604 PolarHBondContact N-O 3.37Å; Y601-R604 PolarHBondContact O-N 3.42Å; D602-R604 PolarHBondContact O-N 2.84Å; D602-R604 VanDerWaalsContact O-N 3.09Å; R604-Q606 PolarHBondContact O-N 3.16Å; R604-Q606 PolarHBondContact O-NE2 3.29Å; R604-Q606 VanDerWaalsContact O-NE2 3.15Å
605	F	97.4	Very high	97.4	Very high	43 Å²	43	35.6 Å²	35.6	19%	0.189	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.6	169	179.4	-118.1	0	0	0	109.6	L598 Y599 F600 G607 Y608 P631 F666	L598-F605 HydrophobicContact CB-CE2 4.11Å; L598-F605 HydrophobicContact CD2-CD2 4.45Å; L598-F605 HydrophobicContact CD2-CE2 3.53Å; L598-F605 HydrophobicContact CD2-CZ 4.03Å; L598-F605 HydrophobicContact CG-CE2 4.42Å; Y599-F605 WeakPolarHBondContact O-CD2 3.37Å; F600-F605 HydrophobicContact CD1-CB 4.05Å; F600-F605 HydrophobicContact CE1-CB 3.81Å; F600-F605 HydrophobicContact CE1-CD2 4.13Å; F600-F605 HydrophobicContact CE1-CG 4.44Å; F600-F605 HydrophobicContact CE2-CD2 4.18Å; F600-F605 HydrophobicContact CZ-CB 4.44Å; F600-F605 AromaticContact CZ-CD2 3.96Å; F600-F605 HydrophobicContact CZ-CD2 3.96Å; F605-G607 WeakPolarHBondContact CE2-O 3.27Å; F605-G607 WeakPolarHBondContact CZ-O 3.29Å; F605-Y608 HydrophobicContact CZ-CE2 4.39Å; F605-P631 HydrophobicContact CD1-CG 4.26Å; F605-P631 HydrophobicContact CE1-CG 4.1Å; F605-F666 HydrophobicContact CD1-CB 4.2Å; F605-F666 WeakPolarHBondContact CD1-O 3.41Å; F605-F666 HydrophobicContact CD2-CB 4.01Å; F605-F666 HydrophobicContact CE1-CB 4.21Å; F605-F666 WeakPolarHBondContact CE1-O 3.46Å; F605-F666 HydrophobicContact CE2-CB 4.03Å; F605-F666 HydrophobicContact CG-CB 4.09Å; F605-F666 HydrophobicContact CZ-CB 4.1Å
606	Q	97.7	Very high	97	Very high	50 Å²	50	35.7 Å²	35.7	23%	0.234	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-7	-178.7	-58.7	-58	-42	0	0	112.1	Y599 Y601 R604 W628 M630	Y599-Q606 HydrophobicContact CD1-CB 3.37Å; Y599-Q606 HydrophobicContact CD1-CG 3.89Å; Y599-Q606 HydrophobicContact CE1-CB 3.85Å; Y599-Q606 HydrophobicContact CE1-CG 3.95Å; Y599-Q606 HydrophobicContact CG-CB 3.97Å; Y599-Q606 HydrophobicContact CG-CG 4.4Å; Y599-Q606 PolarHBondContact O-N 2.88Å; Y601-Q606 PolarHBondContact O-NE2 2.99Å; R604-Q606 PolarHBondContact O-N 3.16Å; R604-Q606 PolarHBondContact O-NE2 3.29Å; R604-Q606 VanDerWaalsContact O-NE2 3.15Å; Q606-W628 HydrophobicContact CB-CZ2 4.07Å; Q606-W628 PolarHBondContact O-NE1 2.97Å; Q606-M630 WeakPolarHBondContact O-CG 3.41Å
607	G	97.7	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.2	-164.3	-177.8	0	0	0	0	0	114.3	Y599 F605 A629	Y599-G607 PolarHBondContact N-O 3.29Å; F605-G607 WeakPolarHBondContact CE2-O 3.27Å; F605-G607 WeakPolarHBondContact CZ-O 3.29Å; G607-A629 CarbonylContact C-O 3.58Å; G607-A629 WeakPolarHBondContact CA-O 3.43Å
608	Y	98.4	Very high	95.6	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.9	-179.2	-64.2	-75.6	0	0	0	111.3	Y564 F567 V596 H597 L598 F605 A629 G667 V669 W824	Y564-Y608 AromaticContact CE1-CD1 3.92Å; Y564-Y608 HydrophobicContact CE1-CD1 3.92Å; Y564-Y608 HydrophobicContact CE1-CD2 4.22Å; Y564-Y608 HydrophobicContact CE1-CE1 4.07Å; Y564-Y608 HydrophobicContact CE1-CE2 4.36Å; Y564-Y608 HydrophobicContact CE1-CG 4Å; F567-Y608 AromaticContact CE2-CD2 3.74Å; F567-Y608 HydrophobicContact CE2-CD2 3.74Å; F567-Y608 HydrophobicContact CE2-CE2 4.48Å; F567-Y608 HydrophobicContact CE2-CG 4.36Å; F567-Y608 HydrophobicContact CZ-CD2 4.2Å; V596-Y608 HydrophobicContact CG1-CD1 3.92Å; V596-Y608 HydrophobicContact CG1-CG 4.45Å; H597-Y608 CarbonylContact O-C 3.59Å; H597-Y608 WeakPolarHBondContact O-CA 3.41Å; L598-Y608 HydrophobicContact CD2-CD1 3.97Å; L598-Y608 HydrophobicContact CD2-CE1 3.52Å; F605-Y608 HydrophobicContact CZ-CE2 4.39Å; Y608-A629 PolarHBondContact N-O 3.06Å; Y608-A629 PolarHBondContact O-N 3.44Å; Y608-G667 PolarHBondContact OH-N 2.69Å; Y608-V669 HydrophobicContact CE2-CG2 3.74Å; Y608-W824 AromaticContact CD2-CH2 3.53Å; Y608-W824 HydrophobicContact CD2-CH2 3.53Å; Y608-W824 HydrophobicContact CD2-CZ2 4.47Å; Y608-W824 AromaticContact CD2-CZ3 3.73Å; Y608-W824 HydrophobicContact CD2-CZ3 3.73Å; Y608-W824 AromaticContact CE2-CH2 3.47Å; Y608-W824 HydrophobicContact CE2-CH2 3.47Å; Y608-W824 VanDerWaalsContact CE2-CH2 3.47Å; Y608-W824 HydrophobicContact CE2-CZ2 4.17Å; Y608-W824 HydrophobicContact CE2-CZ3 4.16Å
609	L	98.6	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117.5	162.8	-46.7	-178	0	0	0	108.3	V596 H597 Y599 E626 L627 W628 W848	V596-L609 VanDerWaalsContact CA-O 3.29Å; V596-L609 WeakPolarHBondContact CA-O 3.22Å; H597-L609 HydrophobicContact CB-CB 4.29Å; H597-L609 PolarHBondContact N-O 2.9Å; H597-L609 PolarHBondContact O-N 2.79Å; Y599-L609 HydrophobicContact CD1-CD2 4.37Å; Y599-L609 HydrophobicContact CG-CD2 4.44Å; L609-E626 HydrophobicContact CB-CG 4.14Å; L609-L627 CarbonylContact C-O 3.47Å; L609-L627 VanDerWaalsContact CA-O 3.24Å; L609-L627 WeakPolarHBondContact CA-O 3.2Å; L609-W628 HydrophobicContact CD2-CB 3.72Å; L609-W628 HydrophobicContact CD2-CG 3.76Å; L609-W848 HydrophobicContact CD1-CE3 4.44Å; L609-W848 WeakPolarHBondContact CD1-O 3.22Å; L609-W848 HydrophobicContact CD2-CE3 3.73Å; L609-W848 HydrophobicContact CD2-CZ3 4.06Å
610	V	98	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.5	-179.7	-179.7	0	0	0	0	108.7	Y564 F567 F568 P593 V596 E626 L627	Y564-V610 HydrophobicContact CD1-CG2 3.95Å; Y564-V610 HydrophobicContact CG-CG2 4.2Å; F567-V610 HydrophobicContact CD2-CG2 4.08Å; F568-V610 HydrophobicContact CD2-CG1 4.45Å; P593-V610 HydrophobicContact CB-CG1 4.21Å; P593-V610 HydrophobicContact CG-CG1 4.29Å; V596-V610 HydrophobicContact CG1-CG2 4.11Å; V596-V610 HydrophobicContact CG2-CB 4.44Å; V596-V610 HydrophobicContact CG2-CG1 4.2Å; V596-V610 HydrophobicContact CG2-CG2 4.05Å; V610-E626 WeakPolarHBondContact O-CA 3.39Å; V610-L627 HydrophobicContact CB-CD1 4.12Å; V610-L627 HydrophobicContact CB-CD2 4.12Å; V610-L627 HydrophobicContact CB-CG 3.95Å; V610-L627 HydrophobicContact CG2-CD1 4.39Å; V610-L627 PolarHBondContact N-O 3.05Å; V610-L627 PolarHBondContact O-N 3.4Å
611	R	97.6	Very high	93.6	Very high	47 Å²	47	60.5 Å²	60.5	18%	0.177	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.1	177.3	-172.6	172.6	59.5	178.8	-3	109.5	E548 L594 S595 T624 L625 E626	E548-R611 IonicContact OE2-NH2 3.34Å; L594-R611 WeakPolarHBondContact CA-O 3.42Å; L594-R611 WeakPolarHBondContact CB-O 3.44Å; L594-R611 PolarHBondContact N-O 3.08Å; S595-R611 PolarHBondContact N-O 3.34Å; S595-R611 PolarHBondContact O-N 3.1Å; S595-R611 WeakPolarHBondContact OG-CB 3.42Å; S595-R611 PolarHBondContact OG-NE 2.77Å; S595-R611 PolarHBondContact OG-NH2 3.19Å; R611-T624 HydrophobicContact CG-CG2 3.75Å; R611-L625 CarbonylContact C-O 3.6Å; R611-L625 VanDerWaalsContact CA-O 3.25Å; R611-L625 WeakPolarHBondContact CA-O 3.3Å; R611-E626 HydrophobicContact CB-CB 4.09Å; R611-E626 HydrophobicContact CB-CG 4.05Å; R611-E626 HydrophobicContact CG-CB 4.17Å
612	Q	96.1	Very high	93.4	Very high	5 Å²	5	61.1 Å²	61.1	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.7	-175.4	-163.2	165.3	-13.8	0	0	110.9	F568 G591 T624 L625	F568-Q612 HydrophobicContact CD2-CB 3.63Å; F568-Q612 HydrophobicContact CD2-CG 4.41Å; F568-Q612 VanDerWaalsContact CD2-OE1 3.29Å; F568-Q612 HydrophobicContact CE2-CB 3.44Å; F568-Q612 VanDerWaalsContact CE2-CB 3.44Å; F568-Q612 HydrophobicContact CE2-CG 4.48Å; F568-Q612 HydrophobicContact CG-CB 4.34Å; F568-Q612 HydrophobicContact CZ-CB 3.96Å; G591-Q612 PolarHBondContact O-NE2 2.91Å; Q612-T624 WeakPolarHBondContact O-CA 3.26Å; Q612-L625 PolarHBondContact N-O 3.08Å; Q612-L625 PolarHBondContact O-N 3.49Å
613	E	95.8	Very high	93.2	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.2	169.1	-158.7	-162	82	0	0	110.2	A590 L594 K622 E623	A590-E613 HydrophobicContact CB-CB 4.22Å; A590-E613 HydrophobicContact CB-CG 4.35Å; A590-E613 VanDerWaalsContact CB-OE1 3.28Å; A590-E613 WeakPolarHBondContact CB-OE1 3.34Å; A590-E613 PolarHBondContact N-O 2.7Å; L594-E613 HydrophobicContact CD1-CB 4.37Å; E613-K622 HydrophobicContact CG-CB 4.29Å; E613-K622 WeakPolarHBondContact OE1-CD 3.03Å; E613-K622 WeakPolarHBondContact OE1-CE 3.29Å; E613-K622 WeakPolarHBondContact OE1-CG 3.45Å; E613-K622 IonicContact OE1-NZ 3.26Å; E613-K622 PolarHBondContact OE1-NZ 2.9Å; E613-K622 WeakPolarHBondContact OE2-CD 3.09Å; E613-K622 IonicContact OE2-NZ 2.7Å; E613-K622 PolarHBondContact OE2-NZ 2.67Å; E613-E623 CarbonylContact C-O 3.59Å; E613-E623 WeakPolarHBondContact CA-O 3.39Å; E613-E623 WeakPolarHBondContact CG-O 3.36Å
614	V	94.6	Very high	93.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	158	173.7	-57.7	0	0	0	0	110.8	F568 F587 E588 K622 E623 L625	F568-V614 HydrophobicContact CE1-CG1 3.34Å; F568-V614 HydrophobicContact CZ-CG1 3.39Å; F587-V614 HydrophobicContact CB-CB 4.1Å; F587-V614 HydrophobicContact CB-CG2 4.21Å; F587-V614 HydrophobicContact CD1-CB 4.27Å; F587-V614 HydrophobicContact CD1-CG2 3.54Å; F587-V614 HydrophobicContact CE1-CG2 4.13Å; F587-V614 HydrophobicContact CG-CB 4.45Å; F587-V614 HydrophobicContact CG-CG2 4.02Å; E588-V614 CarbonylContact O-C 3.47Å; E588-V614 VanDerWaalsContact O-CA 3.29Å; E588-V614 WeakPolarHBondContact O-CA 3.49Å; V614-K622 CarbonylContact O-C 3.5Å; V614-K622 VanDerWaalsContact O-CA 3.27Å; V614-K622 WeakPolarHBondContact O-CA 3.34Å; V614-E623 HydrophobicContact CG2-CB 3.88Å; V614-E623 PolarHBondContact N-O 3.43Å; V614-E623 PolarHBondContact O-N 3.14Å; V614-L625 HydrophobicContact CG1-CD1 4.11Å; V614-L625 HydrophobicContact CG1-CG 4.28Å; V614-L625 HydrophobicContact CG2-CD1 3.89Å; V614-L625 HydrophobicContact CG2-CG 3.83Å
615	R	93.5	Very high	93.2	Very high	109 Å²	109	49.9 Å²	49.9	41%	0.411	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125	168	-171.2	-175.6	-61.1	-87.9	6.8	109.5	F587 E588 K620 R621	F587-R615 CarbonylContact C-O 3.56Å; F587-R615 WeakPolarHBondContact CA-O 3.02Å; E588-R615 PolarHBondContact N-O 2.98Å; E588-R615 PolarHBondContact O-N 3.12Å; R615-K620 PolarHBondContact NH1-O 3.23Å; R615-R621 WeakPolarHBondContact CA-O 3.35Å
616	G	88.9	Confident	93.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.7	168.6	0	0	0	0	0	110.2	K620 R621	G616-K620 WeakPolarHBondContact O-CA 3.37Å; G616-K620 PolarHBondContact O-N 3.25Å; G616-R621 PolarHBondContact N-O 3.2Å
617	V	86.7	Confident	93.2	Very high	47 Å²	47	45.4 Å²	45.4	29%	0.285	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-47.7	-173.3	172.5	0	0	0	0	111.4	R586 E588	R586-V617 HydrophobicContact CB-CB 4.41Å; R586-V617 HydrophobicContact CB-CG2 4.43Å; R586-V617 HydrophobicContact CG-CB 4.18Å; R586-V617 HydrophobicContact CG-CG2 3.82Å; R586-V617 PolarHBondContact O-N 3.02Å; E588-V617 HydrophobicContact CG-CG2 3.82Å
618	E	81.6	Confident	93.2	Very high	129 Å²	129	47.5 Å²	47.5	60%	0.603	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-55.3	176.1	-176.8	-175.9	-175.9	0	0	111.3	A584 K620	A584-E618 PolarHBondContact N-OE2 3.5Å; E618-K620 PolarHBondContact O-N 3.42Å
619	S	81.2	Confident	93.1	Very high	41 Å²	41	47 Å²	47	29%	0.287	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	-174.1	67.3	0	0	0	0	113.8	R621	S619-R621 PolarHBondContact O-N 3.26Å
620	K	85.1	Confident	93.1	Very high	156 Å²	156	49.3 Å²	49.3	68%	0.678	22%	0.222	S	C	*	.			trans	54.5	6	-171	-60.1	179.6	-175.6	176.3	0	114.9	R615 G616 E618	R615-K620 PolarHBondContact NH1-O 3.23Å; G616-K620 WeakPolarHBondContact O-CA 3.37Å; G616-K620 PolarHBondContact O-N 3.25Å; E618-K620 PolarHBondContact O-N 3.42Å
621	R	87.6	Confident	92.9	Very high	183 Å²	183	51.8 Å²	51.8	69%	0.691	24%	0.238	S	C	*	.			trans	-77.6	147.3	-179.3	-68.9	-179.8	-179.9	-168.4	-0.4	110	R615 G616 S619	R615-R621 WeakPolarHBondContact CA-O 3.35Å; G616-R621 PolarHBondContact N-O 3.2Å; S619-R621 PolarHBondContact O-N 3.26Å
622	K	92.8	Very high	92.7	Very high	123 Å²	123	53.8 Å²	53.8	54%	0.535	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.2	167.4	-74	173.2	156	-123	0	109	E613 V614	E613-K622 HydrophobicContact CG-CB 4.29Å; E613-K622 WeakPolarHBondContact OE1-CD 3.03Å; E613-K622 WeakPolarHBondContact OE1-CE 3.29Å; E613-K622 WeakPolarHBondContact OE1-CG 3.45Å; E613-K622 IonicContact OE1-NZ 3.26Å; E613-K622 PolarHBondContact OE1-NZ 2.9Å; E613-K622 WeakPolarHBondContact OE2-CD 3.09Å; E613-K622 IonicContact OE2-NZ 2.7Å; E613-K622 PolarHBondContact OE2-NZ 2.67Å; V614-K622 CarbonylContact O-C 3.5Å; V614-K622 VanDerWaalsContact O-CA 3.27Å; V614-K622 WeakPolarHBondContact O-CA 3.34Å
623	E	94.3	Very high	92.3	Very high	19 Å²	19	58.5 Å²	58.5	9%	0.089	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.3	172.3	-63.1	-170.5	-159.9	0	0	109.9	E613 V614 S835 S836	E613-E623 CarbonylContact C-O 3.59Å; E613-E623 WeakPolarHBondContact CA-O 3.39Å; E613-E623 WeakPolarHBondContact CG-O 3.36Å; V614-E623 HydrophobicContact CG2-CB 3.88Å; V614-E623 PolarHBondContact N-O 3.43Å; V614-E623 PolarHBondContact O-N 3.14Å; E623-S835 WeakPolarHBondContact OE2-CA 3.47Å; E623-S835 WeakPolarHBondContact OE2-CB 3.47Å; E623-S835 PolarHBondContact OE2-OG 3.13Å; E623-S836 WeakPolarHBondContact OE1-CB 3.22Å; E623-S836 PolarHBondContact OE1-N 2.67Å; E623-S836 PolarHBondContact OE1-OG 3.43Å
624	T	96.7	Very high	92.2	Very high	46 Å²	46	58.3 Å²	58.3	28%	0.282	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	110.5	177.9	-58.2	0	0	0	0	108.4	L594 R611 Q612 S831 A832	L594-T624 HydrophobicContact CD1-CG2 3.68Å; R611-T624 HydrophobicContact CG-CG2 3.75Å; Q612-T624 WeakPolarHBondContact O-CA 3.26Å; T624-S831 PolarHBondContact O-OG 3.14Å; T624-A832 HydrophobicContact CG2-CB 4.21Å; T624-A832 PolarHBondContact O-N 2.86Å
625	L	96.7	Very high	92.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.3	-179.7	-51	-175.2	0	0	0	110.1	F568 F587 R611 Q612 V614 L829 C830 S831 V840	F568-L625 HydrophobicContact CZ-CB 4.14Å; F587-L625 HydrophobicContact CD2-CD1 4.31Å; F587-L625 HydrophobicContact CE2-CD1 4.42Å; R611-L625 CarbonylContact C-O 3.6Å; R611-L625 VanDerWaalsContact CA-O 3.25Å; R611-L625 WeakPolarHBondContact CA-O 3.3Å; Q612-L625 PolarHBondContact N-O 3.08Å; Q612-L625 PolarHBondContact O-N 3.49Å; V614-L625 HydrophobicContact CG1-CD1 4.11Å; V614-L625 HydrophobicContact CG1-CG 4.28Å; V614-L625 HydrophobicContact CG2-CD1 3.89Å; V614-L625 HydrophobicContact CG2-CG 3.83Å; L625-L829 HydrophobicContact CB-CD1 3.9Å; L625-L829 HydrophobicContact CD1-CD1 4.11Å; L625-L829 HydrophobicContact CD1-CD2 4.39Å; L625-C830 CarbonylContact C-O 3.43Å; L625-C830 VanDerWaalsContact CA-O 3.24Å; L625-C830 WeakPolarHBondContact CA-O 3.42Å; L625-S831 VanDerWaalsContact CD2-CB 3.5Å; L625-V840 HydrophobicContact CD2-CG1 4.11Å
626	E	98.1	Very high	92.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.2	165.7	-171.8	174.7	-92.4	0	0	108.7	L609 V610 R611 C830 W848 S849 S850	L609-E626 HydrophobicContact CB-CG 4.14Å; V610-E626 WeakPolarHBondContact O-CA 3.39Å; R611-E626 HydrophobicContact CB-CB 4.09Å; R611-E626 HydrophobicContact CB-CG 4.05Å; R611-E626 HydrophobicContact CG-CB 4.17Å; E626-C830 PolarHBondContact N-O 3.05Å; E626-C830 PolarHBondContact O-N 3.19Å; E626-W848 HydrophobicContact CG-CZ3 4.36Å; E626-W848 WeakPolarHBondContact O-CH2 3.21Å; E626-S849 VanDerWaalsContact OE2-CA 3.25Å; E626-S849 WeakPolarHBondContact OE2-CA 3.34Å; E626-S849 VanDerWaalsContact OE2-CB 3.29Å; E626-S849 WeakPolarHBondContact OE2-CB 3.11Å; E626-S849 PolarHBondContact OE2-OG 3.35Å; E626-S850 WeakPolarHBondContact OE1-CB 3.33Å; E626-S850 PolarHBondContact OE1-OG 2.77Å; E626-S850 PolarHBondContact OE2-N 3.27Å; E626-S850 PolarHBondContact OE2-OG 2.98Å
627	L	96.8	Very high	92.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.2	174.9	70	90.3	0	0	0	110.3	F567 F568 T571 L609 V610 A629 L829	F567-L627 HydrophobicContact CB-CD1 4.01Å; F567-L627 HydrophobicContact CB-CD2 4.36Å; F568-L627 HydrophobicContact CB-CD2 3.99Å; F568-L627 HydrophobicContact CD2-CD2 3.35Å; F568-L627 HydrophobicContact CE2-CD2 3.98Å; F568-L627 HydrophobicContact CG-CD2 3.95Å; T571-L627 HydrophobicContact CG2-CB 3.94Å; T571-L627 WeakPolarHBondContact OG1-CD2 3.28Å; L609-L627 CarbonylContact C-O 3.47Å; L609-L627 VanDerWaalsContact CA-O 3.24Å; L609-L627 WeakPolarHBondContact CA-O 3.2Å; V610-L627 HydrophobicContact CB-CD1 4.12Å; V610-L627 HydrophobicContact CB-CD2 4.12Å; V610-L627 HydrophobicContact CB-CG 3.95Å; V610-L627 HydrophobicContact CG2-CD1 4.39Å; V610-L627 PolarHBondContact N-O 3.05Å; V610-L627 PolarHBondContact O-N 3.4Å; L627-A629 HydrophobicContact CD1-CB 3.82Å; L627-L829 HydrophobicContact CB-CD1 4.27Å
628	W	97.9	Very high	92.3	Very high	43 Å²	43	64.1 Å²	64.1	16%	0.163	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122	167.5	177.7	19	0	0	0	110.8	Y599 Q606 L609 M630 G827 D828 W848	Y599-W628 AromaticContact CD1-CE2 3.97Å; Y599-W628 HydrophobicContact CD1-CZ2 4.23Å; Y599-W628 AromaticContact CD1-NE1 3.9Å; Y599-W628 HydrophobicContact CE1-CH2 4.4Å; Y599-W628 HydrophobicContact CE1-CZ2 4.01Å; Q606-W628 HydrophobicContact CB-CZ2 4.07Å; Q606-W628 PolarHBondContact O-NE1 2.97Å; L609-W628 HydrophobicContact CD2-CB 3.72Å; L609-W628 HydrophobicContact CD2-CG 3.76Å; W628-M630 HydrophobicContact CD2-CG 4.24Å; W628-M630 HydrophobicContact CD2-SD 4.47Å; W628-M630 VanDerWaalsContact CE2-CG 3.48Å; W628-M630 HydrophobicContact CG-CG 4.49Å; W628-M630 HydrophobicContact CH2-SD 3.93Å; W628-M630 HydrophobicContact CZ2-CG 3.72Å; W628-M630 HydrophobicContact CZ2-SD 3.51Å; W628-M630 VanDerWaalsContact CZ2-SD 3.51Å; W628-M630 VanDerWaalsContact NE1-CG 3.3Å; W628-G827 PolarHBondContact O-N 3.4Å; W628-D828 PolarHBondContact N-O 3.35Å; W628-W848 HydrophobicContact CB-CD2 4.29Å; W628-W848 HydrophobicContact CB-CE3 3.81Å; W628-W848 HydrophobicContact CB-CH2 4.33Å; W628-W848 HydrophobicContact CB-CZ3 3.84Å; W628-W848 HydrophobicContact CE3-CB 4.09Å; W628-W848 HydrophobicContact CE3-CD2 4.12Å; W628-W848 AromaticContact CE3-CG 3.84Å; W628-W848 HydrophobicContact CE3-CG 3.84Å; W628-W848 HydrophobicContact CG-CE3 4.41Å; W628-W848 HydrophobicContact CZ3-CB 4.29Å; W628-W848 HydrophobicContact CZ3-CG 4.28Å
629	A	97.6	Very high	91.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.4	175.4	0	0	0	0	0	110.5	F567 G607 Y608 L627 W824 I826	F567-A629 HydrophobicContact CB-CB 4.11Å; F567-A629 HydrophobicContact CD1-CB 3.95Å; F567-A629 HydrophobicContact CD2-CB 3.77Å; F567-A629 HydrophobicContact CE1-CB 4.29Å; F567-A629 HydrophobicContact CE2-CB 4.14Å; F567-A629 HydrophobicContact CG-CB 3.69Å; F567-A629 HydrophobicContact CZ-CB 4.39Å; G607-A629 CarbonylContact C-O 3.58Å; G607-A629 WeakPolarHBondContact CA-O 3.43Å; Y608-A629 PolarHBondContact N-O 3.06Å; Y608-A629 PolarHBondContact O-N 3.44Å; L627-A629 HydrophobicContact CD1-CB 3.82Å; A629-W824 HydrophobicContact CB-CE3 4.13Å; A629-W824 WeakPolarHBondContact O-CZ3 3.32Å; A629-I826 HydrophobicContact CB-CD1 4.13Å
630	M	96.8	Very high	91	Very high	48 Å²	48	69 Å²	69	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134	-176.9	-64.5	174.8	-77.9	0	0	111.5	Q606 W628 W824 V825	Q606-M630 WeakPolarHBondContact O-CG 3.41Å; W628-M630 HydrophobicContact CD2-CG 4.24Å; W628-M630 HydrophobicContact CD2-SD 4.47Å; W628-M630 VanDerWaalsContact CE2-CG 3.48Å; W628-M630 HydrophobicContact CG-CG 4.49Å; W628-M630 HydrophobicContact CH2-SD 3.93Å; W628-M630 HydrophobicContact CZ2-CG 3.72Å; W628-M630 HydrophobicContact CZ2-SD 3.51Å; W628-M630 VanDerWaalsContact CZ2-SD 3.51Å; W628-M630 VanDerWaalsContact NE1-CG 3.3Å; M630-W824 CarbonylContact O-C 3.53Å; M630-W824 VanDerWaalsContact O-CA 3.29Å; M630-W824 WeakPolarHBondContact O-CA 3.35Å; M630-V825 HydrophobicContact CB-CB 4.47Å; M630-V825 HydrophobicContact CE-CB 4.09Å; M630-V825 HydrophobicContact CE-CG1 3.71Å; M630-V825 PolarHBondContact N-O 2.91Å; M630-V825 PolarHBondContact O-N 2.75Å
631	P	94.8	Very high	90.1	Very high	52 Å²	52	64.1 Å²	64.1	34%	0.338	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143	172.6	31.3	-33.9	0	0	0	111.1	F605 W824	F605-P631 HydrophobicContact CD1-CG 4.26Å; F605-P631 HydrophobicContact CE1-CG 4.1Å; P631-W824 HydrophobicContact CB-CD2 4.42Å; P631-W824 HydrophobicContact CB-CE3 4.2Å; P631-W824 HydrophobicContact CB-CH2 3.87Å; P631-W824 HydrophobicContact CB-CZ2 4.15Å; P631-W824 HydrophobicContact CB-CZ3 3.93Å; P631-W824 HydrophobicContact CG-CH2 4.3Å; P631-W824 HydrophobicContact CG-CZ3 4.21Å
632	Q	92.4	Very high	89.1	Confident	88 Å²	88	63.4 Å²	63.4	41%	0.411	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-87.7	138.1	174.6	-68.8	-176	-30.9	0	0	111.8	T634 A822 F823 V825	Q632-T634 PolarHBondContact O-N 2.91Å; Q632-A822 PolarHBondContact OE1-O 2.89Å; Q632-F823 WeakPolarHBondContact CB-O 3.19Å; Q632-F823 PolarHBondContact N-O 3.11Å; Q632-V825 HydrophobicContact CG-CG2 3.71Å
633	A	88.4	Confident	87.5	Confident	105 Å²	105	64.4 Å²	64.4	87%	0.868	35%	0.345	S	S	*	.			trans	-73.3	114.7	170.7	0	0	0	0	0	110.4
634	T	93.2	Very high	86.2	Confident	34 Å²	34	63.9 Å²	63.9	21%	0.209	34%	0.343	C	S	.	.			trans	-102.2	-0.7	-178.2	60.5	0	0	0	0	114.1	Q632 V636 V745 R746 F823	Q632-T634 PolarHBondContact O-N 2.91Å; T634-V636 PolarHBondContact O-N 2.81Å; T634-V745 WeakPolarHBondContact OG1-CG2 3.4Å; T634-R746 WeakPolarHBondContact CB-O 3.13Å; T634-R746 HydrophobicContact CG2-CB 4.38Å; T634-R746 PolarHBondContact OG1-N 2.85Å; T634-R746 PolarHBondContact OG1-O 2.87Å; T634-F823 HydrophobicContact CG2-CD1 3.83Å; T634-F823 HydrophobicContact CG2-CE1 3.93Å
635	L	94.1	Very high	85.2	Confident	42 Å²	42	67.3 Å²	67.3	22%	0.22	36%	0.356	C	S	.	.			trans	-77.1	118	-177.4	176.3	57.5	0	0	0	111.4	F637 N649 L650 A743 E744 V745	L635-F637 HydrophobicContact CD1-CE2 4.35Å; L635-F637 HydrophobicContact CD1-CZ 4.49Å; L635-F637 HydrophobicContact CD2-CE2 3.56Å; L635-F637 HydrophobicContact CD2-CZ 3.75Å; L635-F637 HydrophobicContact CG-CD2 4.2Å; L635-F637 HydrophobicContact CG-CE2 3.71Å; L635-F637 HydrophobicContact CG-CZ 4.19Å; L635-N649 WeakPolarHBondContact CD2-OD1 3.43Å; L635-L650 HydrophobicContact CD1-CB 3.9Å; L635-L650 HydrophobicContact CD1-CD2 4.15Å; L635-L650 HydrophobicContact CD1-CG 4.49Å; L635-L650 HydrophobicContact CD2-CB 4.29Å; L635-A743 HydrophobicContact CD1-CB 4.2Å; L635-E744 WeakPolarHBondContact CA-O 3.34Å; L635-V745 HydrophobicContact CB-CG2 4.31Å; L635-V745 HydrophobicContact CD1-CB 4.22Å
636	V	93.9	Very high	84.9	Confident	80 Å²	80	68 Å²	68	49%	0.485	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.2	175.4	-177.3	0	0	0	0	109.5	T634 A743 E744	T634-V636 PolarHBondContact O-N 2.81Å; V636-A743 CarbonylContact O-C 3.59Å; V636-A743 WeakPolarHBondContact O-CA 3.46Å; V636-E744 PolarHBondContact N-O 2.91Å; V636-E744 PolarHBondContact O-N 2.89Å
637	F	90.4	Very high	84.6	Confident	90 Å²	90	68.2 Å²	68.2	40%	0.395	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.2	172.8	-71.5	-88.2	0	0	0	111	L635 L647 A743	L635-F637 HydrophobicContact CD1-CE2 4.35Å; L635-F637 HydrophobicContact CD1-CZ 4.49Å; L635-F637 HydrophobicContact CD2-CE2 3.56Å; L635-F637 HydrophobicContact CD2-CZ 3.75Å; L635-F637 HydrophobicContact CG-CD2 4.2Å; L635-F637 HydrophobicContact CG-CE2 3.71Å; L635-F637 HydrophobicContact CG-CZ 4.19Å; F637-L647 HydrophobicContact CE1-CB 4.41Å; F637-L647 HydrophobicContact CE1-CD2 3.98Å; F637-L647 HydrophobicContact CE1-CG 3.95Å; F637-A743 HydrophobicContact CD1-CB 4.12Å; F637-A743 HydrophobicContact CE1-CB 4.38Å
638	E	87.4	Confident	84.4	Confident	67 Å²	67	73.9 Å²	73.9	31%	0.313	38%	0.384	S	S	.	.			trans	-80.5	120.9	173.7	-66.5	-73.1	-176.3	0	0	110.7	N640 L641 R741 V742	E638-N640 VanDerWaalsContact C-N 3.25Å; E638-N640 PolarHBondContact O-N 2.85Å; E638-N640 VanDerWaalsContact O-N 3.12Å; E638-L641 HydrophobicContact CB-CD1 4.17Å; E638-R741 HydrophobicContact CG-CB 4.4Å; E638-R741 HydrophobicContact CG-CG 4.38Å; E638-R741 IonicContact OE1-CZ 3.66Å; E638-R741 IonicContact OE1-NE 3.89Å; E638-R741 PolarHBondContact OE1-NE 3.47Å; E638-R741 IonicContact OE1-NH2 2.82Å; E638-R741 PolarHBondContact OE1-NH2 2.96Å; E638-V742 WeakPolarHBondContact CB-O 3.43Å; E638-V742 PolarHBondContact N-O 2.82Å
639	T	70.4	Confident	84.2	Confident	130 Å²	130	73.9 Å²	73.9	80%	0.798	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12.1	-165.6	51.2	0	0	0	0	115.8
640	N	66.4	Low	84.1	Confident	143 Å²	143	74 Å²	74	77%	0.765	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	8.8	-167.1	-70.8	-53.2	0	0	0	115.1	E638	E638-N640 VanDerWaalsContact C-N 3.25Å; E638-N640 PolarHBondContact O-N 2.85Å; E638-N640 VanDerWaalsContact O-N 3.12Å
641	L	65.4	Low	84.1	Confident	53 Å²	53	75.6 Å²	75.6	28%	0.277	40%	0.395	S	S	.	.			trans	-113.9	71.3	-168	-67.1	173.6	0	0	0	113.9	E638 E643 F644 R741 V742	E638-L641 HydrophobicContact CB-CD1 4.17Å; L641-E643 PolarHBondContact O-N 2.66Å; L641-E643 VanDerWaalsContact O-N 3.12Å; L641-F644 HydrophobicContact CB-CB 4.42Å; L641-F644 PolarHBondContact O-N 2.89Å; L641-R741 VanDerWaalsContact CD1-O 3.29Å; L641-R741 WeakPolarHBondContact CD1-O 3.43Å; L641-V742 HydrophobicContact CD1-CB 4.1Å; L641-V742 HydrophobicContact CD1-CG1 4.02Å; L641-V742 HydrophobicContact CD1-CG2 3.94Å
642	K	66.4	Low	84.2	Confident	169 Å²	169	74.1 Å²	74.1	74%	0.735	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-49.5	-39.6	179.1	-62.6	-171.7	177.3	-176.3	0	114.2	F644 E645	K642-F644 PolarHBondContact O-N 3.01Å; K642-E645 VanDerWaalsContact CA-OE1 3.31Å; K642-E645 WeakPolarHBondContact CA-OE1 3.46Å; K642-E645 WeakPolarHBondContact CB-OE1 3.44Å; K642-E645 WeakPolarHBondContact O-CB 3.26Å; K642-E645 VanDerWaalsContact O-CG 3.24Å; K642-E645 WeakPolarHBondContact O-CG 3.23Å; K642-E645 PolarHBondContact O-N 2.75Å
643	E	58.7	Low	84.4	Confident	143 Å²	143	70 Å²	70	67%	0.668	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-69.3	-13.5	179.6	-59.5	-174.7	131.7	0	0	114.4	L641 K737	L641-E643 PolarHBondContact O-N 2.66Å; L641-E643 VanDerWaalsContact O-N 3.12Å; E643-K737 IonicContact OE2-NZ 2.78Å; E643-K737 PolarHBondContact OE2-NZ 3.24Å
644	F	68.5	Low	84.8	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.035	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-108.1	12.2	174.8	-102.6	-105.3	0	0	0	113.4	L641 K642 R646 L647 W682 L688 A690 V735 K737 V742	L641-F644 HydrophobicContact CB-CB 4.42Å; L641-F644 PolarHBondContact O-N 2.89Å; K642-F644 PolarHBondContact O-N 3.01Å; F644-R646 PolarHBondContact O-N 2.87Å; F644-L647 HydrophobicContact CD1-CB 4.48Å; F644-L647 PolarHBondContact O-N 2.87Å; F644-W682 HydrophobicContact CD1-CH2 4.45Å; F644-W682 HydrophobicContact CD1-CZ3 4.09Å; F644-W682 AromaticContact CE1-CH2 3.97Å; F644-W682 HydrophobicContact CE1-CH2 3.97Å; F644-W682 AromaticContact CE1-CZ3 3.97Å; F644-W682 HydrophobicContact CE1-CZ3 3.97Å; F644-L688 HydrophobicContact CD2-CD2 4.14Å; F644-L688 HydrophobicContact CE1-CD1 4.04Å; F644-L688 HydrophobicContact CE1-CD2 4.33Å; F644-L688 HydrophobicContact CE2-CD1 4.19Å; F644-L688 HydrophobicContact CE2-CD2 3.87Å; F644-L688 HydrophobicContact CE2-CG 4.48Å; F644-L688 HydrophobicContact CG-CD2 4.49Å; F644-L688 HydrophobicContact CZ-CD1 3.63Å; F644-L688 HydrophobicContact CZ-CD2 4.02Å; F644-L688 HydrophobicContact CZ-CG 4.38Å; F644-A690 HydrophobicContact CE1-CB 3.8Å; F644-A690 HydrophobicContact CZ-CB 3.75Å; F644-V735 HydrophobicContact CE1-CG1 4.16Å; F644-K737 HydrophobicContact CD2-CB 4.16Å; F644-K737 HydrophobicContact CD2-CD 3.75Å; F644-K737 HydrophobicContact CD2-CG 4.26Å; F644-K737 HydrophobicContact CE2-CB 3.63Å; F644-K737 HydrophobicContact CE2-CD 3.5Å; F644-K737 VanDerWaalsContact CE2-CD 3.5Å; F644-K737 HydrophobicContact CE2-CG 3.6Å; F644-K737 HydrophobicContact CZ-CB 4.01Å; F644-K737 HydrophobicContact CZ-CG 4.29Å; F644-V742 HydrophobicContact CB-CG1 3.5Å; F644-V742 VanDerWaalsContact CB-CG1 3.5Å; F644-V742 HydrophobicContact CD1-CB 4.29Å; F644-V742 HydrophobicContact CD1-CG1 3.58Å; F644-V742 HydrophobicContact CD1-CG2 4.1Å; F644-V742 HydrophobicContact CE1-CG1 4.44Å; F644-V742 HydrophobicContact CE1-CG2 4.27Å; F644-V742 HydrophobicContact CG-CG1 3.71Å; F644-V742 HydrophobicContact CG-CG2 4.23Å
645	E	75.4	Confident	84.9	Confident	118 Å²	118	69 Å²	69	55%	0.551	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-13.8	165	-73.2	173.2	-146.3	0	0	113	K642 L647 K648	K642-E645 VanDerWaalsContact CA-OE1 3.31Å; K642-E645 WeakPolarHBondContact CA-OE1 3.46Å; K642-E645 WeakPolarHBondContact CB-OE1 3.44Å; K642-E645 WeakPolarHBondContact O-CB 3.26Å; K642-E645 VanDerWaalsContact O-CG 3.24Å; K642-E645 WeakPolarHBondContact O-CG 3.23Å; K642-E645 PolarHBondContact O-N 2.75Å; E645-L647 VanDerWaalsContact C-N 3.34Å; E645-K648 WeakPolarHBondContact O-CE 3.49Å; E645-K648 PolarHBondContact O-NZ 2.95Å
646	R	89.1	Confident	85	Confident	14 Å²	14	68.3 Å²	68.3	5%	0.053	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.4	166.7	-70	-163.1	68.8	-166.9	-7.3	112.5	F644 K648 W682 A683 G685 P686 L688 V709 E710 M711 A713	F644-R646 PolarHBondContact O-N 2.87Å; R646-K648 PolarHBondContact O-N 3.37Å; R646-W682 HydrophobicContact CB-CE3 3.96Å; R646-W682 CarbonylContact O-C 3.53Å; R646-W682 VanDerWaalsContact O-CA 3.25Å; R646-W682 WeakPolarHBondContact O-CA 3.4Å; R646-A683 PolarHBondContact NE-O 3.24Å; R646-A683 PolarHBondContact NH2-O 2.98Å; R646-A683 PolarHBondContact O-N 3.08Å; R646-G685 PolarHBondContact NH1-O 2.97Å; R646-P686 WeakPolarHBondContact CD-O 3.28Å; R646-P686 PolarHBondContact NH1-O 3.28Å; R646-L688 HydrophobicContact CB-CD2 4.37Å; R646-L688 HydrophobicContact CG-CD2 4.46Å; R646-V709 PolarHBondContact NH1-O 2.93Å; R646-E710 PolarHBondContact NH1-O 3.38Å; R646-E710 PolarHBondContact NH2-O 2.63Å; R646-M711 PolarHBondContact NH2-O 3.37Å; R646-A713 PolarHBondContact NH2-O 2.81Å
647	L	92.2	Very high	85.1	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.1	-179.8	-174.5	66.6	0	0	0	109.2	F637 F644 E645 N649 Q680 W682 V735 A743	F637-L647 HydrophobicContact CE1-CB 4.41Å; F637-L647 HydrophobicContact CE1-CD2 3.98Å; F637-L647 HydrophobicContact CE1-CG 3.95Å; F644-L647 HydrophobicContact CD1-CB 4.48Å; F644-L647 PolarHBondContact O-N 2.87Å; E645-L647 VanDerWaalsContact C-N 3.34Å; L647-N649 WeakPolarHBondContact CD1-O 3.37Å; L647-Q680 HydrophobicContact CD1-CB 3.9Å; L647-Q680 HydrophobicContact CD1-CG 4.5Å; L647-W682 HydrophobicContact CB-CE3 3.96Å; L647-W682 HydrophobicContact CB-CH2 4.3Å; L647-W682 HydrophobicContact CB-CZ3 3.67Å; L647-W682 HydrophobicContact CD1-CD2 4.2Å; L647-W682 HydrophobicContact CD1-CE3 4.07Å; L647-W682 HydrophobicContact CD1-CH2 3.8Å; L647-W682 HydrophobicContact CD1-CZ2 3.91Å; L647-W682 HydrophobicContact CD1-CZ3 3.89Å; L647-W682 HydrophobicContact CG-CZ3 4.32Å; L647-V735 HydrophobicContact CD2-CB 4.36Å; L647-V735 HydrophobicContact CD2-CG1 4.28Å; L647-V735 HydrophobicContact CD2-CG2 4.22Å; L647-A743 HydrophobicContact CD2-CB 3.7Å
648	K	92.7	Very high	85.2	Confident	118 Å²	118	63.2 Å²	63.2	51%	0.513	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-22	-178.6	-63	-48.7	-168.7	-166.9	0	113.8	E645 R646 K681 A683	E645-K648 WeakPolarHBondContact O-CE 3.49Å; E645-K648 PolarHBondContact O-NZ 2.95Å; R646-K648 PolarHBondContact O-N 3.37Å; K648-K681 PolarHBondContact N-O 3.47Å; K648-A683 HydrophobicContact CG-CB 4.09Å
649	N	94.7	Very high	85.5	Confident	44 Å²	44	60.7 Å²	60.7	24%	0.235	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	157	174.2	-158	7	0	0	0	111	L635 L647 E651 Q680 K681	L635-N649 WeakPolarHBondContact CD2-OD1 3.43Å; L647-N649 WeakPolarHBondContact CD1-O 3.37Å; N649-E651 VanDerWaalsContact ND2-CD 3.27Å; N649-E651 PolarHBondContact ND2-OE1 2.82Å; N649-Q680 WeakPolarHBondContact O-CA 3.26Å; N649-K681 HydrophobicContact CB-CB 3.78Å; N649-K681 HydrophobicContact CB-CD 4.37Å; N649-K681 PolarHBondContact N-O 2.94Å; N649-K681 PolarHBondContact O-N 3.23Å
650	L	95.3	Very high	86.8	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	116.4	172.6	166.4	71.1	0	0	0	107.7	L635 V679 Q680 V735 V745	L635-L650 HydrophobicContact CD1-CB 3.9Å; L635-L650 HydrophobicContact CD1-CD2 4.15Å; L635-L650 HydrophobicContact CD1-CG 4.49Å; L635-L650 HydrophobicContact CD2-CB 4.29Å; L650-V679 WeakPolarHBondContact CA-O 3.19Å; L650-Q680 HydrophobicContact CD1-CG 3.88Å; L650-V735 HydrophobicContact CD1-CG2 4.22Å; L650-V735 HydrophobicContact CD2-CG2 3.73Å; L650-V745 HydrophobicContact CD2-CB 3.89Å; L650-V745 HydrophobicContact CD2-CG1 3.57Å; L650-V745 HydrophobicContact CG-CB 4.16Å; L650-V745 HydrophobicContact CG-CG1 3.72Å
651	E	95.8	Very high	88.1	Confident	82 Å²	82	52 Å²	52	38%	0.383	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	-176.2	-68.8	173.3	171.1	0	0	110.1	N649 F663 V679	N649-E651 VanDerWaalsContact ND2-CD 3.27Å; N649-E651 PolarHBondContact ND2-OE1 2.82Å; E651-F663 HydrophobicContact CB-CD2 4.34Å; E651-F663 HydrophobicContact CB-CE2 3.75Å; E651-V679 PolarHBondContact N-O 2.88Å; E651-V679 PolarHBondContact O-N 2.84Å
652	I	97.4	Very high	89.6	Confident	20 Å²	20	51.4 Å²	51.4	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.7	173.8	-45.4	-61.1	0	0	0	107.8	P676 L677 A678 W694 V733 V745 F747	I652-P676 HydrophobicContact CG2-CB 3.89Å; I652-L677 WeakPolarHBondContact CA-O 3.2Å; I652-A678 HydrophobicContact CD1-CB 3.51Å; I652-W694 HydrophobicContact CD1-CH2 4.33Å; I652-W694 HydrophobicContact CG2-CH2 3.96Å; I652-W694 HydrophobicContact CG2-CZ3 4.04Å; I652-V733 HydrophobicContact CD1-CB 3.94Å; I652-V733 HydrophobicContact CD1-CG1 4.14Å; I652-V733 HydrophobicContact CD1-CG2 3.72Å; I652-V733 HydrophobicContact CG1-CG2 4.12Å; I652-V745 HydrophobicContact CD1-CG1 3.94Å; I652-V745 HydrophobicContact CG1-CG1 3.63Å; I652-F747 HydrophobicContact CB-CB 4.28Å; I652-F747 HydrophobicContact CB-CD1 3.99Å; I652-F747 HydrophobicContact CB-CG 4.12Å; I652-F747 HydrophobicContact CG1-CD1 3.86Å; I652-F747 HydrophobicContact CG1-CE1 4.39Å; I652-F747 HydrophobicContact CG1-CG 4.44Å; I652-F747 HydrophobicContact CG2-CD1 3.74Å; I652-F747 HydrophobicContact CG2-CD2 4.16Å; I652-F747 HydrophobicContact CG2-CE1 3.83Å; I652-F747 HydrophobicContact CG2-CE2 4.25Å; I652-F747 HydrophobicContact CG2-CG 3.91Å; I652-F747 HydrophobicContact CG2-CZ 4.1Å
653	G	96.8	Very high	91.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	179.4	-177.5	0	0	0	0	0	113.7	F663 L677	G653-F663 VanDerWaalsContact C-CE1 3.4Å; G653-F663 WeakPolarHBondContact O-CE1 3.5Å; G653-L677 PolarHBondContact N-O 2.71Å; G653-L677 VanDerWaalsContact N-O 3.15Å; G653-L677 PolarHBondContact O-N 2.91Å
654	T	96.6	Very high	92.9	Very high	12 Å²	12	41 Å²	41	7%	0.074	19%	0.193	C	C	.	.	S	Bend	trans	-112.9	166.4	169.8	64.4	0	0	0	0	110.3	W656 F663 N665 I670 D674	T654-W656 PolarHBondContact O-N 2.9Å; T654-F663 VanDerWaalsContact O-CD1 3.26Å; T654-F663 WeakPolarHBondContact O-CD1 3.49Å; T654-N665 WeakPolarHBondContact OG1-CB 3.47Å; T654-N665 PolarHBondContact OG1-ND2 2.75Å; T654-I670 HydrophobicContact CG2-CG1 4.2Å; T654-D674 HydrophobicContact CG2-CB 4.11Å
655	D	95.2	Very high	94.2	Very high	107 Å²	107	41.9 Å²	41.9	57%	0.572	20%	0.198	S	C	*	.	S	Bend	trans	61.1	44.4	173.3	-45.8	-67	0	0	0	113	D657 R664	D655-D657 PolarHBondContact O-N 2.94Å; D655-R664 HydrophobicContact CB-CB 4.03Å; D655-R664 PolarHBondContact O-N 2.74Å
656	W	95.7	Very high	95.2	Very high	27 Å²	27	38.5 Å²	38.5	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.4	174.4	176.1	-111.2	0	0	0	111.3	T654 P658 R661 F663 L677 V679 Y715 Q717	T654-W656 PolarHBondContact O-N 2.9Å; W656-P658 WeakPolarHBondContact O-CD 3.41Å; W656-R661 HydrophobicContact CH2-CB 3.8Å; W656-R661 VanDerWaalsContact CH2-O 3.26Å; W656-R661 WeakPolarHBondContact CH2-O 3.46Å; W656-R661 HydrophobicContact CZ2-CB 3.98Å; W656-R661 HydrophobicContact CZ2-CG 4.4Å; W656-R661 WeakPolarHBondContact CZ3-O 3.47Å; W656-F663 HydrophobicContact CB-CD1 3.88Å; W656-F663 HydrophobicContact CB-CE1 3.87Å; W656-F663 AromaticContact CE3-CD1 3.99Å; W656-F663 HydrophobicContact CE3-CD1 3.99Å; W656-F663 HydrophobicContact CE3-CD2 4.17Å; W656-F663 HydrophobicContact CE3-CE1 4.08Å; W656-F663 HydrophobicContact CE3-CE2 4.22Å; W656-F663 HydrophobicContact CE3-CG 4.08Å; W656-F663 HydrophobicContact CE3-CZ 4.2Å; W656-F663 HydrophobicContact CZ3-CD2 4.46Å; W656-F663 HydrophobicContact CZ3-CE2 4.48Å; W656-L677 HydrophobicContact CB-CD1 4.04Å; W656-L677 HydrophobicContact CB-CD2 4.34Å; W656-L677 HydrophobicContact CG-CD1 4.47Å; W656-L677 HydrophobicContact CG-CD2 4.37Å; W656-V679 HydrophobicContact CD2-CG2 3.84Å; W656-V679 HydrophobicContact CE3-CG2 3.68Å; W656-V679 HydrophobicContact CH2-CB 4.39Å; W656-V679 HydrophobicContact CH2-CG1 3.66Å; W656-V679 HydrophobicContact CH2-CG2 3.94Å; W656-V679 HydrophobicContact CZ2-CG1 4.14Å; W656-V679 HydrophobicContact CZ2-CG2 4.09Å; W656-V679 HydrophobicContact CZ3-CB 4.31Å; W656-V679 HydrophobicContact CZ3-CG1 4.01Å; W656-V679 HydrophobicContact CZ3-CG2 3.74Å; W656-Y715 AromaticContact CH2-CD1 3.89Å; W656-Y715 HydrophobicContact CH2-CD1 3.89Å; W656-Y715 AromaticContact CH2-CE1 3.98Å; W656-Y715 HydrophobicContact CH2-CE1 3.98Å; W656-Y715 HydrophobicContact CZ2-CD1 4.28Å; W656-Q717 VanDerWaalsContact NE1-CD 3.35Å
657	D	95.8	Very high	95.4	Very high	24 Å²	24	38.4 Å²	38.4	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	103	172.6	-176.6	-25.9	0	0	0	109.4	D655 K659 E660 R661 I662 R664	D655-D657 PolarHBondContact O-N 2.94Å; D657-K659 PolarHBondContact O-N 2.75Å; D657-K659 WeakPolarHBondContact OD1-CA 3.44Å; D657-K659 WeakPolarHBondContact OD1-CB 3.49Å; D657-K659 PolarHBondContact OD1-N 2.95Å; D657-E660 PolarHBondContact OD1-N 2.96Å; D657-R661 VanDerWaalsContact O-CA 3.22Å; D657-R661 WeakPolarHBondContact O-CA 3.43Å; D657-R661 PolarHBondContact O-N 3.09Å; D657-I662 HydrophobicContact CB-CG1 4.32Å; D657-I662 WeakPolarHBondContact CB-O 3.08Å; D657-I662 PolarHBondContact N-O 3.43Å; D657-R664 HydrophobicContact CB-CG 4.16Å; D657-R664 IonicContact OD2-CZ 3.62Å; D657-R664 IonicContact OD2-NE 3.58Å; D657-R664 PolarHBondContact OD2-NE 3Å; D657-R664 IonicContact OD2-NH2 3.43Å; D657-R664 PolarHBondContact OD2-NH2 3.05Å
658	P	92.6	Very high	95.5	Very high	39 Å²	39	39.3 Å²	39.3	25%	0.253	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.9	179.6	33.1	-38.6	0	0	0	113.9	K474 W656	K474-P658 HydrophobicContact CB-CG 4.28Å; K474-P658 HydrophobicContact CG-CB 4.23Å; K474-P658 HydrophobicContact CG-CG 3.96Å; W656-P658 WeakPolarHBondContact O-CD 3.41Å
659	K	94.8	Very high	95.6	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-49.8	174.6	174.5	-171.9	82.4	77.4	0	109.8	P488 N489 D490 D657	P488-K659 WeakPolarHBondContact O-CD 3.25Å; P488-K659 PolarHBondContact O-NZ 3.46Å; N489-K659 WeakPolarHBondContact ND2-CG 3.37Å; N489-K659 PolarHBondContact ND2-O 2.85Å; D490-K659 IonicContact OD2-NZ 2.75Å; D490-K659 PolarHBondContact OD2-NZ 2.76Å; D657-K659 PolarHBondContact O-N 2.75Å; D657-K659 WeakPolarHBondContact OD1-CA 3.44Å; D657-K659 WeakPolarHBondContact OD1-CB 3.49Å; D657-K659 PolarHBondContact OD1-N 2.95Å
660	E	96.4	Very high	95.7	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9.5	179.9	-63.7	-50.9	132.2	0	0	114.8	N489 D490 V516 D657 I662	N489-E660 VanDerWaalsContact CA-OE1 3.23Å; N489-E660 WeakPolarHBondContact CA-OE1 3.39Å; N489-E660 PolarHBondContact ND2-OE1 2.74Å; D490-E660 PolarHBondContact N-OE1 3.12Å; V516-E660 HydrophobicContact CG1-CB 4.19Å; V516-E660 HydrophobicContact CG1-CG 4.01Å; D657-E660 PolarHBondContact OD1-N 2.96Å; E660-I662 HydrophobicContact CB-CG1 4.21Å
661	R	95.4	Very high	95.8	Very high	71 Å²	71	32.1 Å²	32.1	27%	0.268	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	48.3	178.5	-57.7	158.9	158.9	-171.5	-9.9	112.9	W656 D657 E714 Y715	W656-R661 HydrophobicContact CH2-CB 3.8Å; W656-R661 VanDerWaalsContact CH2-O 3.26Å; W656-R661 WeakPolarHBondContact CH2-O 3.46Å; W656-R661 HydrophobicContact CZ2-CB 3.98Å; W656-R661 HydrophobicContact CZ2-CG 4.4Å; W656-R661 WeakPolarHBondContact CZ3-O 3.47Å; D657-R661 VanDerWaalsContact O-CA 3.22Å; D657-R661 WeakPolarHBondContact O-CA 3.43Å; D657-R661 PolarHBondContact O-N 3.09Å; R661-E714 IonicContact CZ-OE2 3.97Å; R661-E714 VanDerWaalsContact CZ-OE2 3.26Å; R661-E714 IonicContact NH1-OE2 2.75Å; R661-E714 PolarHBondContact NH1-OE2 3.1Å; R661-E714 IonicContact NH2-OE2 3.05Å; R661-E714 PolarHBondContact NH2-OE2 2.82Å; R661-Y715 HydrophobicContact CB-CD1 4.45Å; R661-Y715 HydrophobicContact CB-CE1 4.12Å; R661-Y715 HydrophobicContact CB-CE2 4.3Å; R661-Y715 HydrophobicContact CG-CD2 4.46Å
662	I	96.3	Very high	95.9	Very high	41 Å²	41	28.2 Å²	28.2	21%	0.21	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.8	175.6	61.2	171.9	0	0	0	110.5	V516 D657 E660 F666	V516-I662 HydrophobicContact CG2-CD1 3.88Å; D657-I662 HydrophobicContact CB-CG1 4.32Å; D657-I662 WeakPolarHBondContact CB-O 3.08Å; D657-I662 PolarHBondContact N-O 3.43Å; E660-I662 HydrophobicContact CB-CG1 4.21Å; I662-F666 HydrophobicContact CD1-CE1 4.09Å; I662-F666 HydrophobicContact CD1-CZ 4.19Å
663	F	97.4	Very high	95.9	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.083	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.8	163.4	-67.1	-73.8	0	0	0	110.1	E651 G653 T654 W656 L677 V679	E651-F663 HydrophobicContact CB-CD2 4.34Å; E651-F663 HydrophobicContact CB-CE2 3.75Å; G653-F663 VanDerWaalsContact C-CE1 3.4Å; G653-F663 WeakPolarHBondContact O-CE1 3.5Å; T654-F663 VanDerWaalsContact O-CD1 3.26Å; T654-F663 WeakPolarHBondContact O-CD1 3.49Å; W656-F663 HydrophobicContact CB-CD1 3.88Å; W656-F663 HydrophobicContact CB-CE1 3.87Å; W656-F663 AromaticContact CE3-CD1 3.99Å; W656-F663 HydrophobicContact CE3-CD1 3.99Å; W656-F663 HydrophobicContact CE3-CD2 4.17Å; W656-F663 HydrophobicContact CE3-CE1 4.08Å; W656-F663 HydrophobicContact CE3-CE2 4.22Å; W656-F663 HydrophobicContact CE3-CG 4.08Å; W656-F663 HydrophobicContact CE3-CZ 4.2Å; W656-F663 HydrophobicContact CZ3-CD2 4.46Å; W656-F663 HydrophobicContact CZ3-CE2 4.48Å; F663-L677 HydrophobicContact CE1-CB 4.32Å; F663-L677 HydrophobicContact CE1-CD2 4.01Å; F663-L677 HydrophobicContact CZ-CD2 4.06Å; F663-L677 WeakPolarHBondContact CZ-O 3.37Å; F663-V679 HydrophobicContact CE1-CG2 4.3Å; F663-V679 HydrophobicContact CE2-CB 4.23Å; F663-V679 HydrophobicContact CE2-CG2 3.97Å; F663-V679 HydrophobicContact CZ-CB 4.19Å; F663-V679 HydrophobicContact CZ-CG2 3.55Å
664	R	96.4	Very high	95.9	Very high	73 Å²	73	34 Å²	34	28%	0.275	18%	0.175	S	C	.	.	S	Bend	trans	-85.6	-19.1	175.1	-62.2	-63.2	-170.3	151.9	2.8	112.6	E513 D655 D657 F666	E513-R664 IonicContact OE1-CZ 2.87Å; E513-R664 VanDerWaalsContact OE1-CZ 3.25Å; E513-R664 IonicContact OE1-NH1 2.72Å; E513-R664 PolarHBondContact OE1-NH1 3.28Å; E513-R664 IonicContact OE1-NH2 3.82Å; E513-R664 PolarHBondContact OE1-NH2 3.42Å; D655-R664 HydrophobicContact CB-CB 4.03Å; D655-R664 PolarHBondContact O-N 2.74Å; D657-R664 HydrophobicContact CB-CG 4.16Å; D657-R664 IonicContact OD2-CZ 3.62Å; D657-R664 IonicContact OD2-NE 3.58Å; D657-R664 PolarHBondContact OD2-NE 3Å; D657-R664 IonicContact OD2-NH2 3.43Å; D657-R664 PolarHBondContact OD2-NH2 3.05Å; R664-F666 WeakPolarHBondContact O-CD2 3.35Å; R664-F666 PolarHBondContact O-N 2.92Å
665	N	96.6	Very high	95.9	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	-76.8	74.5	158.8	-176.2	-4.2	0	0	0	109.3	T654 G667 G668 V669	T654-N665 WeakPolarHBondContact OG1-CB 3.47Å; T654-N665 PolarHBondContact OG1-ND2 2.75Å; N665-G667 PolarHBondContact O-N 3.05Å; N665-G667 VanDerWaalsContact O-N 3.12Å; N665-G668 PolarHBondContact O-N 2.78Å; N665-G668 PolarHBondContact OD1-N 3.33Å; N665-V669 PolarHBondContact ND2-O 2.92Å; N665-V669 PolarHBondContact OD1-N 3.13Å; N665-V669 VanDerWaalsContact OD1-N 3.16Å
666	F	95.7	Very high	96	Very high	48 Å²	48	33.1 Å²	33.1	21%	0.211	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.3	-172.2	-69.4	-83	0	0	0	114.5	L598 F600 F605 I662 R664	L598-F666 HydrophobicContact CD1-CD2 3.68Å; L598-F666 HydrophobicContact CD1-CE2 4.04Å; L598-F666 HydrophobicContact CD2-CB 4.21Å; L598-F666 HydrophobicContact CD2-CD2 4.35Å; F600-F666 HydrophobicContact CE1-CD1 4Å; F600-F666 AromaticContact CE1-CE1 3.97Å; F600-F666 HydrophobicContact CE1-CE1 3.97Å; F600-F666 AromaticContact CZ-CD1 3.73Å; F600-F666 HydrophobicContact CZ-CD1 3.73Å; F600-F666 HydrophobicContact CZ-CD2 4.31Å; F600-F666 AromaticContact CZ-CE1 3.72Å; F600-F666 HydrophobicContact CZ-CE1 3.72Å; F600-F666 HydrophobicContact CZ-CE2 4.3Å; F600-F666 HydrophobicContact CZ-CG 4.04Å; F600-F666 HydrophobicContact CZ-CZ 4.02Å; F605-F666 HydrophobicContact CD1-CB 4.2Å; F605-F666 WeakPolarHBondContact CD1-O 3.41Å; F605-F666 HydrophobicContact CD2-CB 4.01Å; F605-F666 HydrophobicContact CE1-CB 4.21Å; F605-F666 WeakPolarHBondContact CE1-O 3.46Å; F605-F666 HydrophobicContact CE2-CB 4.03Å; F605-F666 HydrophobicContact CG-CB 4.09Å; F605-F666 HydrophobicContact CZ-CB 4.1Å; I662-F666 HydrophobicContact CD1-CE1 4.09Å; I662-F666 HydrophobicContact CD1-CZ 4.19Å; R664-F666 WeakPolarHBondContact O-CD2 3.35Å; R664-F666 PolarHBondContact O-N 2.92Å
667	G	93.3	Very high	96.1	Very high	11 Å²	11	33 Å²	33	11%	0.113	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	177.8	0	0	0	0	0	115.2	Y608 N665 V669 W824	Y608-G667 PolarHBondContact OH-N 2.69Å; N665-G667 PolarHBondContact O-N 3.05Å; N665-G667 VanDerWaalsContact O-N 3.12Å; G667-V669 PolarHBondContact O-N 3.16Å; G667-W824 VanDerWaalsContact O-CZ2 3.26Å; G667-W824 WeakPolarHBondContact O-CZ2 3.37Å
668	G	93.9	Very high	96.1	Very high	25 Å²	25	31.8 Å²	31.8	26%	0.258	16%	0.162	S	C	.	.			trans	60	34.6	-172.8	0	0	0	0	0	112.8	N665 I670	N665-G668 PolarHBondContact O-N 2.78Å; N665-G668 PolarHBondContact OD1-N 3.33Å; G668-I670 WeakPolarHBondContact O-CG1 3.29Å; G668-I670 PolarHBondContact O-N 3.38Å; G668-I670 VanDerWaalsContact O-N 3.13Å
669	V	94.9	Very high	96.4	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	15%	0.151	C	C	.	.			trans	-75.1	101.3	176.1	175.1	0	0	0	0	107.7	V559 A563 Y608 N665 G667 W824	V559-V669 HydrophobicContact CB-CG1 4.26Å; V559-V669 HydrophobicContact CG1-CG1 3.66Å; A563-V669 HydrophobicContact CB-CG1 3.79Å; A563-V669 HydrophobicContact CB-CG2 4.33Å; Y608-V669 HydrophobicContact CE2-CG2 3.74Å; N665-V669 PolarHBondContact ND2-O 2.92Å; N665-V669 PolarHBondContact OD1-N 3.13Å; N665-V669 VanDerWaalsContact OD1-N 3.16Å; G667-V669 PolarHBondContact O-N 3.16Å; V669-W824 HydrophobicContact CG2-CZ2 4.19Å
670	I	98	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-119.7	132.1	-170.9	-65.6	163.3	0	0	0	109	T654 G668 D674 P676 F747 V749 M750	T654-I670 HydrophobicContact CG2-CG1 4.2Å; G668-I670 WeakPolarHBondContact O-CG1 3.29Å; G668-I670 PolarHBondContact O-N 3.38Å; G668-I670 VanDerWaalsContact O-N 3.13Å; I670-D674 HydrophobicContact CG2-CB 3.97Å; I670-P676 HydrophobicContact CD1-CB 4.47Å; I670-F747 HydrophobicContact CD1-CD2 3.85Å; I670-F747 HydrophobicContact CD1-CE2 4.3Å; I670-V749 HydrophobicContact CG2-CG2 4.13Å; I670-M750 WeakPolarHBondContact O-CB 3.43Å; I670-M750 PolarHBondContact O-N 3.21Å
671	G	97.6	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.			trans	-110.3	-177.2	176.9	0	0	0	0	0	113.5	L673 D674	G671-L673 PolarHBondContact O-N 2.88Å; G671-D674 PolarHBondContact N-OD2 3.15Å; G671-D674 PolarHBondContact O-N 3.3Å
672	P	97.5	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.2	-171.7	-19.9	34.5	0	0	0	114.5	P725 L726 P728 M750 L752 L768	P672-P725 HydrophobicContact CB-CB 3.89Å; P672-P725 CarbonylContact O-C 3.59Å; P672-P725 VanDerWaalsContact O-CA 3.24Å; P672-P725 WeakPolarHBondContact O-CA 3.38Å; P672-L726 PolarHBondContact O-N 2.99Å; P672-P728 HydrophobicContact CG-CG 4.2Å; P672-M750 WeakPolarHBondContact CD-O 3.22Å; P672-L752 HydrophobicContact CG-CG 4.14Å; P672-L768 VanDerWaalsContact CB-O 3.23Å; P672-L768 WeakPolarHBondContact CB-O 3.22Å
673	L	96.9	Very high	96.2	Very high	93 Å²	93	29.4 Å²	29.4	49%	0.487	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	2.2	-177.8	-57.8	-179.8	0	0	0	113.4	G671 H724 P725 W767 L768	G671-L673 PolarHBondContact O-N 2.88Å; L673-H724 HydrophobicContact CD2-CB 4.39Å; L673-P725 HydrophobicContact CD2-CB 4.06Å; L673-W767 HydrophobicContact CD1-CH2 4.49Å; L673-W767 HydrophobicContact CD2-CH2 4.28Å; L673-W767 HydrophobicContact CD2-CZ3 4.12Å; L673-L768 HydrophobicContact CD1-CD2 4.08Å; L673-L768 HydrophobicContact CD2-CD2 4.37Å; L673-L768 HydrophobicContact CG-CD2 4.27Å
674	D	97.5	Very high	95.9	Very high	50 Å²	50	37.1 Å²	37.1	27%	0.267	18%	0.183	S	C	.	.			trans	-79.8	162.1	178.9	-73.8	-47.2	0	0	0	112.3	T654 I670 G671 P676 H724 L726	T654-D674 HydrophobicContact CG2-CB 4.11Å; I670-D674 HydrophobicContact CG2-CB 3.97Å; G671-D674 PolarHBondContact N-OD2 3.15Å; G671-D674 PolarHBondContact O-N 3.3Å; D674-P676 VanDerWaalsContact O-CD 3.29Å; D674-P676 WeakPolarHBondContact O-CD 2.93Å; D674-H724 PolarHBondContact O-NE2 2.31Å; D674-L726 WeakPolarHBondContact O-CD1 3.5Å
675	E	96.7	Very high	95.6	Very high	99 Å²	99	34.6 Å²	34.6	46%	0.463	18%	0.18	S	C	.	.			trans	-113.2	85.4	178.5	-58.8	-176.5	102.6	0	0	111.1	K719	E675-K719 HydrophobicContact CB-CD 3.85Å; E675-K719 HydrophobicContact CB-CG 4.46Å; E675-K719 IonicContact OE1-NZ 3.47Å; E675-K719 PolarHBondContact OE1-NZ 3.03Å; E675-K719 IonicContact OE2-NZ 3.65Å; E675-K719 PolarHBondContact OE2-NZ 3.23Å
676	P	97.3	Very high	95.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	20%	0.204	C	C	.	.			trans	-66.9	137.7	-176.1	27.8	-35.1	0	0	0	112.1	I652 I670 D674 W694 L726 F747	I652-P676 HydrophobicContact CG2-CB 3.89Å; I670-P676 HydrophobicContact CD1-CB 4.47Å; D674-P676 VanDerWaalsContact O-CD 3.29Å; D674-P676 WeakPolarHBondContact O-CD 2.93Å; P676-W694 HydrophobicContact CB-CH2 4.1Å; P676-W694 HydrophobicContact CB-CZ3 3.97Å; P676-W694 HydrophobicContact CG-CH2 4.3Å; P676-W694 HydrophobicContact CG-CZ3 3.86Å; P676-W694 WeakPolarHBondContact O-CH2 3.18Å; P676-L726 HydrophobicContact CG-CD1 3.77Å; P676-F747 HydrophobicContact CB-CE2 4.11Å; P676-F747 HydrophobicContact CB-CZ 4.23Å; P676-F747 HydrophobicContact CG-CE2 4.22Å; P676-F747 HydrophobicContact CG-CZ 4.15Å
677	L	96.9	Very high	95.1	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.12	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.8	-179.8	-177.7	162	0	0	0	108.8	I652 G653 W656 F663 V679 Q717 K719	I652-L677 WeakPolarHBondContact CA-O 3.2Å; G653-L677 PolarHBondContact N-O 2.71Å; G653-L677 VanDerWaalsContact N-O 3.15Å; G653-L677 PolarHBondContact O-N 2.91Å; W656-L677 HydrophobicContact CB-CD1 4.04Å; W656-L677 HydrophobicContact CB-CD2 4.34Å; W656-L677 HydrophobicContact CG-CD1 4.47Å; W656-L677 HydrophobicContact CG-CD2 4.37Å; F663-L677 HydrophobicContact CE1-CB 4.32Å; F663-L677 HydrophobicContact CE1-CD2 4.01Å; F663-L677 HydrophobicContact CZ-CD2 4.06Å; F663-L677 WeakPolarHBondContact CZ-O 3.37Å; L677-V679 HydrophobicContact CD2-CG2 3.41Å; L677-V679 VanDerWaalsContact CD2-CG2 3.41Å; L677-Q717 HydrophobicContact CD2-CB 4.15Å; L677-K719 HydrophobicContact CB-CB 4.11Å; L677-K719 HydrophobicContact CB-CG 4.12Å; L677-K719 HydrophobicContact CD1-CB 4.08Å; L677-K719 HydrophobicContact CG-CB 4.01Å
678	A	97	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.6	175.6	0	0	0	0	0	111.4	I652 Q680 W694 Q717 Y718	I652-A678 HydrophobicContact CD1-CB 3.51Å; A678-Q680 VanDerWaalsContact C-NE2 3.3Å; A678-Q680 PolarHBondContact O-NE2 3.28Å; A678-Q680 VanDerWaalsContact O-NE2 3.13Å; A678-W694 HydrophobicContact CB-CH2 4.1Å; A678-W694 HydrophobicContact CB-CZ2 3.44Å; A678-W694 VanDerWaalsContact CB-CZ2 3.44Å; A678-Q717 WeakPolarHBondContact O-CA 3.49Å; A678-Y718 PolarHBondContact N-O 2.71Å; A678-Y718 PolarHBondContact O-N 2.8Å; A678-Y718 VanDerWaalsContact O-N 3.09Å
679	V	97.2	Very high	95.1	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.8	173.8	176.4	0	0	0	0	110	L650 E651 W656 F663 L677 Y715 T716 Q717	L650-V679 WeakPolarHBondContact CA-O 3.19Å; E651-V679 PolarHBondContact N-O 2.88Å; E651-V679 PolarHBondContact O-N 2.84Å; W656-V679 HydrophobicContact CD2-CG2 3.84Å; W656-V679 HydrophobicContact CE3-CG2 3.68Å; W656-V679 HydrophobicContact CH2-CB 4.39Å; W656-V679 HydrophobicContact CH2-CG1 3.66Å; W656-V679 HydrophobicContact CH2-CG2 3.94Å; W656-V679 HydrophobicContact CZ2-CG1 4.14Å; W656-V679 HydrophobicContact CZ2-CG2 4.09Å; W656-V679 HydrophobicContact CZ3-CB 4.31Å; W656-V679 HydrophobicContact CZ3-CG1 4.01Å; W656-V679 HydrophobicContact CZ3-CG2 3.74Å; F663-V679 HydrophobicContact CE1-CG2 4.3Å; F663-V679 HydrophobicContact CE2-CB 4.23Å; F663-V679 HydrophobicContact CE2-CG2 3.97Å; F663-V679 HydrophobicContact CZ-CB 4.19Å; F663-V679 HydrophobicContact CZ-CG2 3.55Å; L677-V679 HydrophobicContact CD2-CG2 3.41Å; L677-V679 VanDerWaalsContact CD2-CG2 3.41Å; V679-Y715 HydrophobicContact CG1-CD1 3.7Å; V679-Y715 HydrophobicContact CG1-CE1 4.25Å; V679-T716 WeakPolarHBondContact CA-O 3.28Å; V679-Q717 HydrophobicContact CG2-CB 4.23Å
680	Q	96.1	Very high	95	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.7	173.1	-51.3	73.9	51.5	0	0	108.4	L647 N649 L650 A678 W682 I692 I707 Y715 T716	L647-Q680 HydrophobicContact CD1-CB 3.9Å; L647-Q680 HydrophobicContact CD1-CG 4.5Å; N649-Q680 WeakPolarHBondContact O-CA 3.26Å; L650-Q680 HydrophobicContact CD1-CG 3.88Å; A678-Q680 VanDerWaalsContact C-NE2 3.3Å; A678-Q680 PolarHBondContact O-NE2 3.28Å; A678-Q680 VanDerWaalsContact O-NE2 3.13Å; Q680-W682 HydrophobicContact CB-CZ2 3.67Å; Q680-W682 HydrophobicContact CG-CZ2 4.13Å; Q680-W682 PolarHBondContact O-NE1 2.98Å; Q680-I692 HydrophobicContact CG-CD1 4.36Å; Q680-I707 HydrophobicContact CG-CD1 4.29Å; Q680-Y715 CarbonylContact O-C 3.56Å; Q680-Y715 WeakPolarHBondContact O-CA 3.46Å; Q680-T716 PolarHBondContact N-O 2.94Å; Q680-T716 PolarHBondContact O-N 3.46Å; Q680-T716 PolarHBondContact OE1-O 3.46Å; Q680-T716 PolarHBondContact OE1-OG1 2.94Å
681	K	95.6	Very high	94.9	Very high	88 Å²	88	43.7 Å²	43.7	38%	0.383	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.7	176.5	-173.1	175.3	-176.8	167	0	109.6	K648 N649 Y715	K648-K681 PolarHBondContact N-O 3.47Å; N649-K681 HydrophobicContact CB-CB 3.78Å; N649-K681 HydrophobicContact CB-CD 4.37Å; N649-K681 PolarHBondContact N-O 2.94Å; N649-K681 PolarHBondContact O-N 3.23Å; K681-Y715 HydrophobicContact CB-CD1 4.47Å; K681-Y715 HydrophobicContact CB-CE1 4.21Å; K681-Y715 HydrophobicContact CD-CE1 4.24Å; K681-Y715 HydrophobicContact CD-CE2 4.43Å; K681-Y715 WeakPolarHBondContact CE-OH 3.35Å; K681-Y715 HydrophobicContact CG-CE1 4.1Å; K681-Y715 HydrophobicContact CG-CE2 4.17Å; K681-Y715 PolarHBondContact NZ-OH 3.38Å
682	W	94	Very high	94.8	Very high	9 Å²	9	43.7 Å²	43.7	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.6	-173.7	-53.3	94.4	0	0	0	112.1	F644 R646 L647 Q680 L688 A690 I707 V709 A713 E714 T716	F644-W682 HydrophobicContact CD1-CH2 4.45Å; F644-W682 HydrophobicContact CD1-CZ3 4.09Å; F644-W682 AromaticContact CE1-CH2 3.97Å; F644-W682 HydrophobicContact CE1-CH2 3.97Å; F644-W682 AromaticContact CE1-CZ3 3.97Å; F644-W682 HydrophobicContact CE1-CZ3 3.97Å; R646-W682 HydrophobicContact CB-CE3 3.96Å; R646-W682 CarbonylContact O-C 3.53Å; R646-W682 VanDerWaalsContact O-CA 3.25Å; R646-W682 WeakPolarHBondContact O-CA 3.4Å; L647-W682 HydrophobicContact CB-CE3 3.96Å; L647-W682 HydrophobicContact CB-CH2 4.3Å; L647-W682 HydrophobicContact CB-CZ3 3.67Å; L647-W682 HydrophobicContact CD1-CD2 4.2Å; L647-W682 HydrophobicContact CD1-CE3 4.07Å; L647-W682 HydrophobicContact CD1-CH2 3.8Å; L647-W682 HydrophobicContact CD1-CZ2 3.91Å; L647-W682 HydrophobicContact CD1-CZ3 3.89Å; L647-W682 HydrophobicContact CG-CZ3 4.32Å; Q680-W682 HydrophobicContact CB-CZ2 3.67Å; Q680-W682 HydrophobicContact CG-CZ2 4.13Å; Q680-W682 PolarHBondContact O-NE1 2.98Å; W682-L688 HydrophobicContact CH2-CD1 4.21Å; W682-L688 HydrophobicContact CZ3-CD1 4.1Å; W682-L688 HydrophobicContact CZ3-CD2 4.39Å; W682-A690 HydrophobicContact CH2-CB 4.28Å; W682-I707 HydrophobicContact CZ2-CD1 3.97Å; W682-V709 HydrophobicContact CB-CG1 4.28Å; W682-V709 HydrophobicContact CD2-CG1 3.6Å; W682-V709 HydrophobicContact CD2-CG2 4.16Å; W682-V709 HydrophobicContact CE3-CG1 4.04Å; W682-V709 HydrophobicContact CE3-CG2 4.48Å; W682-V709 HydrophobicContact CG-CG1 3.69Å; W682-V709 HydrophobicContact CH2-CG2 3.9Å; W682-V709 HydrophobicContact CZ2-CG2 3.51Å; W682-V709 HydrophobicContact CZ3-CG2 4.35Å; W682-A713 WeakPolarHBondContact CB-O 3.48Å; W682-E714 PolarHBondContact N-O 3.47Å; W682-T716 PolarHBondContact NE1-OG1 3Å
683	A	92.9	Very high	94.8	Very high	35 Å²	35	43.7 Å²	43.7	29%	0.289	23%	0.23	S	C	.	.			trans	-82.6	160	159.4	0	0	0	0	0	110.4	R646 K648	R646-A683 PolarHBondContact NE-O 3.24Å; R646-A683 PolarHBondContact NH2-O 2.98Å; R646-A683 PolarHBondContact O-N 3.08Å; K648-A683 HydrophobicContact CG-CB 4.09Å
684	R	91.3	Very high	94.9	Very high	180 Å²	180	39.3 Å²	39.3	68%	0.679	21%	0.207	S	C	*	.	S	Bend	trans	-65.9	146.5	174.4	-59.3	-175.4	-176.1	162.8	5.7	110.7	M711 E714	R684-M711 WeakPolarHBondContact CA-O 3.45Å; R684-E714 IonicContact NH2-OE1 2.7Å; R684-E714 PolarHBondContact NH2-OE1 3.1Å
685	G	90.2	Very high	94.9	Very high	21 Å²	21	37 Å²	37	22%	0.216	20%	0.195	C	C	.	.			trans	169	-174.9	-177	0	0	0	0	0	111.3	R646 M711	R646-G685 PolarHBondContact NH1-O 2.97Å; G685-M711 PolarHBondContact N-O 3.48Å; G685-M711 VanDerWaalsContact O-CA 3.25Å; G685-M711 WeakPolarHBondContact O-CA 3.45Å; G685-M711 WeakPolarHBondContact O-CG 3.44Å
686	P	91	Very high	94.9	Very high	100 Å²	100	32.3 Å²	32.3	65%	0.649	17%	0.173	S	C	*	.	S	Bend	trans	-62.1	151.9	180	27.3	-35.2	0	0	0	112.1	R646 L688	R646-P686 WeakPolarHBondContact CD-O 3.28Å; R646-P686 PolarHBondContact NH1-O 3.28Å; P686-L688 PolarHBondContact O-N 2.04Å
687	N	92.3	Very high	94.9	Very high	104 Å²	104	33.7 Å²	33.7	56%	0.556	18%	0.182	S	C	*	.			trans	-56.4	137.8	174.5	-69.8	11.8	0	0	0	110.4	V709 M711	N687-V709 WeakPolarHBondContact CA-O 3.03Å; N687-M711 PolarHBondContact OD1-N 3.09Å
688	L	91.8	Very high	94.9	Very high	20 Å²	20	32.6 Å²	32.6	11%	0.105	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163	174.8	64.1	76.1	0	0	0	111.7	F644 R646 W682 P686 A690 V709	F644-L688 HydrophobicContact CD2-CD2 4.14Å; F644-L688 HydrophobicContact CE1-CD1 4.04Å; F644-L688 HydrophobicContact CE1-CD2 4.33Å; F644-L688 HydrophobicContact CE2-CD1 4.19Å; F644-L688 HydrophobicContact CE2-CD2 3.87Å; F644-L688 HydrophobicContact CE2-CG 4.48Å; F644-L688 HydrophobicContact CG-CD2 4.49Å; F644-L688 HydrophobicContact CZ-CD1 3.63Å; F644-L688 HydrophobicContact CZ-CD2 4.02Å; F644-L688 HydrophobicContact CZ-CG 4.38Å; R646-L688 HydrophobicContact CB-CD2 4.37Å; R646-L688 HydrophobicContact CG-CD2 4.46Å; W682-L688 HydrophobicContact CH2-CD1 4.21Å; W682-L688 HydrophobicContact CZ3-CD1 4.1Å; W682-L688 HydrophobicContact CZ3-CD2 4.39Å; P686-L688 PolarHBondContact O-N 2.04Å; L688-A690 HydrophobicContact CD1-CB 4.24Å; L688-V709 HydrophobicContact CD1-CB 3.75Å; L688-V709 HydrophobicContact CD1-CG2 3.61Å; L688-V709 HydrophobicContact CG-CB 4.11Å; L688-V709 PolarHBondContact N-O 2.95Å; L688-V709 PolarHBondContact O-N 3.1Å
689	T	93.4	Very high	94.8	Very high	77 Å²	77	34.7 Å²	34.7	47%	0.472	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.9	168.3	-52	0	0	0	0	108.4	D706 I707	T689-D706 HydrophobicContact CG2-CB 3.94Å; T689-I707 VanDerWaalsContact CA-O 3.32Å; T689-I707 WeakPolarHBondContact CA-O 3.34Å
690	A	93.4	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137	176.2	0	0	0	0	0	109.9	F644 W682 L688 D706 I707 V735 L736	F644-A690 HydrophobicContact CE1-CB 3.8Å; F644-A690 HydrophobicContact CZ-CB 3.75Å; W682-A690 HydrophobicContact CH2-CB 4.28Å; L688-A690 HydrophobicContact CD1-CB 4.24Å; A690-D706 WeakPolarHBondContact O-CA 3.41Å; A690-I707 HydrophobicContact CB-CG1 4.08Å; A690-I707 PolarHBondContact N-O 2.94Å; A690-I707 WeakPolarHBondContact O-CG1 3.14Å; A690-I707 PolarHBondContact O-N 3.44Å; A690-V735 HydrophobicContact CB-CG1 4Å; A690-L736 WeakPolarHBondContact CA-O 3.09Å
691	T	95.8	Very high	94.7	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.086	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126	174.5	-43	0	0	0	0	108.9	V693 D706 L736 W739	T691-V693 HydrophobicContact CG2-CG2 4.12Å; T691-D706 VanDerWaalsContact CA-OD1 3.25Å; T691-D706 WeakPolarHBondContact CA-OD1 3.44Å; T691-D706 WeakPolarHBondContact CB-OD1 3.46Å; T691-D706 WeakPolarHBondContact CG2-OD1 3.44Å; T691-D706 PolarHBondContact OG1-OD1 3.15Å; T691-L736 PolarHBondContact N-O 2.8Å; T691-L736 PolarHBondContact O-N 2.61Å; T691-W739 HydrophobicContact CG2-CZ3 4.49Å
692	I	96.6	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.1	172.6	-49.5	-60.6	0	0	0	108.4	Q680 S704 Y705 I707 V733 R734 V735	Q680-I692 HydrophobicContact CG-CD1 4.36Å; I692-S704 WeakPolarHBondContact O-CA 3.42Å; I692-Y705 HydrophobicContact CB-CD2 4.08Å; I692-Y705 HydrophobicContact CB-CE1 4.25Å; I692-Y705 HydrophobicContact CB-CE2 3.58Å; I692-Y705 HydrophobicContact CG1-CD2 4.28Å; I692-Y705 HydrophobicContact CG1-CE2 3.69Å; I692-Y705 HydrophobicContact CG2-CE1 4.27Å; I692-Y705 HydrophobicContact CG2-CE2 4.11Å; I692-Y705 WeakPolarHBondContact CG2-OH 3.32Å; I692-Y705 PolarHBondContact N-O 3.35Å; I692-Y705 PolarHBondContact O-N 3.37Å; I692-I707 HydrophobicContact CD1-CD1 3.85Å; I692-I707 HydrophobicContact CD1-CG1 4.28Å; I692-I707 HydrophobicContact CG1-CD1 3.98Å; I692-I707 HydrophobicContact CG1-CG1 4.09Å; I692-I707 HydrophobicContact CG1-CG2 4.25Å; I692-V733 HydrophobicContact CG2-CG1 3.75Å; I692-R734 WeakPolarHBondContact CA-O 3.39Å; I692-V735 HydrophobicContact CD1-CB 4.37Å; I692-V735 HydrophobicContact CD1-CG1 4.23Å; I692-V735 HydrophobicContact CD1-CG2 3.79Å
693	V	97.3	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	178.5	-172	0	0	0	0	110.3	T691 I695 V701 A703 V733 R734 L736 L789	T691-V693 HydrophobicContact CG2-CG2 4.12Å; V693-I695 HydrophobicContact CG1-CG1 4.17Å; V693-V701 HydrophobicContact CG1-CG1 3.68Å; V693-A703 WeakPolarHBondContact CA-O 3.49Å; V693-V733 CarbonylContact O-C 3.59Å; V693-V733 WeakPolarHBondContact O-CA 3.08Å; V693-R734 PolarHBondContact N-O 2.93Å; V693-R734 PolarHBondContact O-N 3.05Å; V693-L736 HydrophobicContact CG2-CD1 3.7Å; V693-L736 HydrophobicContact CG2-CG 4.33Å; V693-L789 HydrophobicContact CG1-CD1 3.81Å; V693-L789 HydrophobicContact CG2-CD2 4.41Å
694	W	97.9	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.4	176	-64.7	67.2	0	0	0	109.6	I652 P676 A678 V701 A702 A703 Y705 P720 L722 W731 V733 F747	I652-W694 HydrophobicContact CD1-CH2 4.33Å; I652-W694 HydrophobicContact CG2-CH2 3.96Å; I652-W694 HydrophobicContact CG2-CZ3 4.04Å; P676-W694 HydrophobicContact CB-CH2 4.1Å; P676-W694 HydrophobicContact CB-CZ3 3.97Å; P676-W694 HydrophobicContact CG-CH2 4.3Å; P676-W694 HydrophobicContact CG-CZ3 3.86Å; P676-W694 WeakPolarHBondContact O-CH2 3.18Å; A678-W694 HydrophobicContact CB-CH2 4.1Å; A678-W694 HydrophobicContact CB-CZ2 3.44Å; A678-W694 VanDerWaalsContact CB-CZ2 3.44Å; W694-V701 CarbonylContact O-C 3.46Å; W694-A702 HydrophobicContact CB-CB 4.31Å; W694-A702 PolarHBondContact O-N 2.59Å; W694-A703 HydrophobicContact CB-CB 4.31Å; W694-A703 HydrophobicContact CG-CB 4.41Å; W694-A703 PolarHBondContact N-O 3.27Å; W694-Y705 AromaticContact CD1-CE1 3.75Å; W694-Y705 AromaticContact NE1-CE1 3.45Å; W694-Y705 AromaticContact NE1-CZ 3.63Å; W694-Y705 PolarHBondContact NE1-OH 2.89Å; W694-P720 HydrophobicContact CD2-CG 4.11Å; W694-P720 HydrophobicContact CH2-CG 4.18Å; W694-P720 HydrophobicContact CZ2-CG 3.66Å; W694-L722 HydrophobicContact CE3-CD1 4.37Å; W694-W731 HydrophobicContact CE3-CE3 4.46Å; W694-V733 HydrophobicContact CD2-CG1 4.38Å; W694-V733 HydrophobicContact CD2-CG2 3.6Å; W694-V733 HydrophobicContact CE3-CG2 3.52Å; W694-V733 HydrophobicContact CG-CG1 4.44Å; W694-V733 HydrophobicContact CG-CG2 4.09Å; W694-V733 HydrophobicContact CH2-CG2 4.49Å; W694-V733 HydrophobicContact CZ3-CG2 3.98Å; W694-F747 AromaticContact CE3-CE1 3.98Å; W694-F747 HydrophobicContact CE3-CE1 3.98Å; W694-F747 HydrophobicContact CE3-CZ 4.12Å; W694-F747 AromaticContact CZ3-CE1 3.75Å; W694-F747 HydrophobicContact CZ3-CE1 3.75Å; W694-F747 AromaticContact CZ3-CZ 3.72Å; W694-F747 HydrophobicContact CZ3-CZ 3.72Å
695	I	97.6	Very high	95.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.4	-176.9	-54.4	161.8	0	0	0	108.3	V693 V700 T732 R734 L791	V693-I695 HydrophobicContact CG1-CG1 4.17Å; I695-V700 WeakPolarHBondContact CA-O 3.45Å; I695-T732 PolarHBondContact N-O 2.8Å; I695-T732 PolarHBondContact O-N 2.98Å; I695-R734 HydrophobicContact CD1-CG 4.32Å; I695-L791 HydrophobicContact CD1-CD1 4.43Å; I695-L791 HydrophobicContact CD1-CD2 3.8Å; I695-L791 HydrophobicContact CG2-CD1 4.19Å
696	D	97.3	Very high	95.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.158	C	C	.	.			trans	-82.5	168.9	-179.7	102.7	-26.3	0	0	0	112.5	A698 Q699 V700 R727 W731 Y777	D696-A698 PolarHBondContact O-N 3.15Å; D696-A698 VanDerWaalsContact OD1-CA 3.26Å; D696-A698 WeakPolarHBondContact OD1-CA 3.48Å; D696-A698 WeakPolarHBondContact OD1-CB 3.35Å; D696-A698 PolarHBondContact OD1-N 3.11Å; D696-Q699 PolarHBondContact O-N 2.97Å; D696-Q699 PolarHBondContact OD1-N 3.32Å; D696-Q699 VanDerWaalsContact OD1-N 3.13Å; D696-V700 HydrophobicContact CB-CB 4.31Å; D696-V700 PolarHBondContact N-O 2.93Å; D696-V700 WeakPolarHBondContact OD1-CB 3.45Å; D696-V700 WeakPolarHBondContact OD1-CG2 3.41Å; D696-V700 PolarHBondContact OD1-N 3.48Å; D696-R727 WeakPolarHBondContact OD2-CD 3.44Å; D696-R727 IonicContact OD2-CZ 3.65Å; D696-R727 IonicContact OD2-NE 3.89Å; D696-R727 IonicContact OD2-NH1 3.55Å; D696-R727 PolarHBondContact OD2-NH1 2.74Å; D696-W731 HydrophobicContact CB-CD2 4.22Å; D696-W731 HydrophobicContact CB-CE3 4.24Å; D696-W731 HydrophobicContact CB-CH2 3.83Å; D696-W731 HydrophobicContact CB-CZ2 3.77Å; D696-W731 HydrophobicContact CB-CZ3 4.07Å; D696-Y777 HydrophobicContact CB-CE2 3.87Å; D696-Y777 WeakPolarHBondContact OD2-CE2 3.18Å; D696-Y777 PolarHBondContact OD2-OH 3.39Å
697	P	97.4	Very high	95.6	Very high	30 Å²	30	24 Å²	24	20%	0.195	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.2	-178.2	-24.6	35.6	0	0	0	113.6	Q699 R727 W731	P697-Q699 VanDerWaalsContact C-N 3.29Å; P697-Q699 PolarHBondContact O-N 3.45Å; P697-Q699 PolarHBondContact O-NE2 2.97Å; P697-R727 HydrophobicContact CG-CG 4.47Å; P697-W731 HydrophobicContact CG-CG 4.45Å
698	A	95.9	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	16.5	177.3	0	0	0	0	0	113.3	D696 V700 Q794 M798 A801	D696-A698 PolarHBondContact O-N 3.15Å; D696-A698 VanDerWaalsContact OD1-CA 3.26Å; D696-A698 WeakPolarHBondContact OD1-CA 3.48Å; D696-A698 WeakPolarHBondContact OD1-CB 3.35Å; D696-A698 PolarHBondContact OD1-N 3.11Å; A698-V700 VanDerWaalsContact C-N 3.26Å; A698-V700 PolarHBondContact O-N 2.96Å; A698-Q794 WeakPolarHBondContact O-CG 3.44Å; A698-M798 HydrophobicContact CB-CE 3.87Å; A698-M798 HydrophobicContact CB-SD 4.38Å; A698-A801 HydrophobicContact CB-CB 4.33Å
699	Q	95.3	Very high	95.8	Very high	44 Å²	44	22.7 Å²	22.7	21%	0.206	13%	0.129	C	C	.	.	S	Bend	trans	63.4	22.6	-179.3	-48.1	-54.6	-69	0	0	114.7	D696 P697 Q794 A797	D696-Q699 PolarHBondContact O-N 2.97Å; D696-Q699 PolarHBondContact OD1-N 3.32Å; D696-Q699 VanDerWaalsContact OD1-N 3.13Å; P697-Q699 VanDerWaalsContact C-N 3.29Å; P697-Q699 PolarHBondContact O-N 3.45Å; P697-Q699 PolarHBondContact O-NE2 2.97Å; Q699-Q794 HydrophobicContact CB-CG 4.45Å; Q699-A797 HydrophobicContact CG-CB 4.29Å
700	V	94.8	Very high	95.8	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.097	13%	0.133	C	C	.	.			trans	-73.7	128.1	167.5	-175.7	0	0	0	0	108.8	I695 D696 A698 A702 N775 Y777 M798	I695-V700 WeakPolarHBondContact CA-O 3.45Å; D696-V700 HydrophobicContact CB-CB 4.31Å; D696-V700 PolarHBondContact N-O 2.93Å; D696-V700 WeakPolarHBondContact OD1-CB 3.45Å; D696-V700 WeakPolarHBondContact OD1-CG2 3.41Å; D696-V700 PolarHBondContact OD1-N 3.48Å; A698-V700 VanDerWaalsContact C-N 3.26Å; A698-V700 PolarHBondContact O-N 2.96Å; V700-A702 PolarHBondContact O-N 2.81Å; V700-N775 HydrophobicContact CG2-CB 4.36Å; V700-Y777 HydrophobicContact CB-CE2 4.06Å; V700-Y777 HydrophobicContact CG1-CD2 3.89Å; V700-Y777 HydrophobicContact CG1-CE2 3.92Å; V700-M798 HydrophobicContact CG2-CE 4.11Å
701	V	96.2	Very high	95.8	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	105	164.7	-178	0	0	0	0	107.9	V693 W694 F782 L785 L789 L791	V693-V701 HydrophobicContact CG1-CG1 3.68Å; W694-V701 CarbonylContact O-C 3.46Å; V701-F782 HydrophobicContact CB-CB 3.79Å; V701-F782 HydrophobicContact CG1-CB 3.54Å; V701-F782 HydrophobicContact CG1-CG 4.24Å; V701-L785 HydrophobicContact CG1-CD1 4.47Å; V701-L789 HydrophobicContact CG2-CD1 3.87Å; V701-L791 HydrophobicContact CG2-CD1 3.74Å
702	A	96.3	Very high	95.6	Very high	2 Å²	2	35 Å²	35	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-36.6	-172.8	0	0	0	0	0	112.8	W694 V700 L722 W731 Y777	W694-A702 HydrophobicContact CB-CB 4.31Å; W694-A702 PolarHBondContact O-N 2.59Å; V700-A702 PolarHBondContact O-N 2.81Å; A702-L722 HydrophobicContact CB-CD2 4.21Å; A702-W731 HydrophobicContact CB-CH2 3.9Å; A702-W731 HydrophobicContact CB-CZ3 3.62Å; A702-Y777 HydrophobicContact CB-CD1 4.36Å; A702-Y777 HydrophobicContact CB-CD2 3.44Å; A702-Y777 VanDerWaalsContact CB-CD2 3.44Å; A702-Y777 HydrophobicContact CB-CE2 4.06Å; A702-Y777 HydrophobicContact CB-CG 3.61Å
703	A	96.5	Very high	95.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	147.7	175.4	0	0	0	0	0	111	V693 W694 P720 L722 L778	V693-A703 WeakPolarHBondContact CA-O 3.49Å; W694-A703 HydrophobicContact CB-CB 4.31Å; W694-A703 HydrophobicContact CG-CB 4.41Å; W694-A703 PolarHBondContact N-O 3.27Å; A703-P720 HydrophobicContact CB-CB 4.15Å; A703-L722 HydrophobicContact CB-CD2 4Å; A703-L778 HydrophobicContact CB-CD1 3.71Å
704	S	95.7	Very high	95.2	Very high	22 Å²	22	38.8 Å²	38.8	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.7	170.5	-177	0	0	0	0	109.7	I692	I692-S704 WeakPolarHBondContact O-CA 3.42Å
705	Y	95.5	Very high	95.1	Very high	36 Å²	36	41.6 Å²	41.6	14%	0.141	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.5	-180	55.1	-90.6	0	0	0	111.9	I692 W694 I707 Y718 P720	I692-Y705 HydrophobicContact CB-CD2 4.08Å; I692-Y705 HydrophobicContact CB-CE1 4.25Å; I692-Y705 HydrophobicContact CB-CE2 3.58Å; I692-Y705 HydrophobicContact CG1-CD2 4.28Å; I692-Y705 HydrophobicContact CG1-CE2 3.69Å; I692-Y705 HydrophobicContact CG2-CE1 4.27Å; I692-Y705 HydrophobicContact CG2-CE2 4.11Å; I692-Y705 WeakPolarHBondContact CG2-OH 3.32Å; I692-Y705 PolarHBondContact N-O 3.35Å; I692-Y705 PolarHBondContact O-N 3.37Å; W694-Y705 AromaticContact CD1-CE1 3.75Å; W694-Y705 AromaticContact NE1-CE1 3.45Å; W694-Y705 AromaticContact NE1-CZ 3.63Å; W694-Y705 PolarHBondContact NE1-OH 2.89Å; Y705-I707 HydrophobicContact CD2-CG2 3.91Å; Y705-I707 HydrophobicContact CE2-CG2 3.9Å; Y705-Y718 HydrophobicContact CD1-CD1 4.1Å; Y705-Y718 AromaticContact CD1-CE1 3.97Å; Y705-Y718 HydrophobicContact CD1-CE1 3.97Å; Y705-Y718 HydrophobicContact CD2-CD1 4.13Å; Y705-Y718 HydrophobicContact CD2-CE1 4.46Å; Y705-Y718 HydrophobicContact CD2-CG 4.45Å; Y705-Y718 AromaticContact CE1-CD1 3.57Å; Y705-Y718 HydrophobicContact CE1-CD1 3.57Å; Y705-Y718 AromaticContact CE1-CE1 3.82Å; Y705-Y718 HydrophobicContact CE1-CE1 3.82Å; Y705-Y718 AromaticContact CE2-CD1 3.6Å; Y705-Y718 HydrophobicContact CE2-CD1 3.6Å; Y705-Y718 HydrophobicContact CE2-CE1 4.32Å; Y705-Y718 AromaticContact CE2-CG 3.89Å; Y705-Y718 HydrophobicContact CE2-CG 3.89Å; Y705-Y718 HydrophobicContact CG-CD1 4.37Å; Y705-Y718 HydrophobicContact CG-CE1 4.3Å; Y705-Y718 AromaticContact CZ-CD1 3.3Å; Y705-Y718 AromaticContact CZ-CG 4Å; Y705-P720 HydrophobicContact CE1-CB 4.48Å
706	D	95.8	Very high	95	Very high	106 Å²	106	42.6 Å²	42.6	57%	0.567	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.9	173.1	-77.6	-26	0	0	0	111.4	T689 A690 T691	T689-D706 HydrophobicContact CG2-CB 3.94Å; A690-D706 WeakPolarHBondContact O-CA 3.41Å; T691-D706 VanDerWaalsContact CA-OD1 3.25Å; T691-D706 WeakPolarHBondContact CA-OD1 3.44Å; T691-D706 WeakPolarHBondContact CB-OD1 3.46Å; T691-D706 WeakPolarHBondContact CG2-OD1 3.44Å; T691-D706 PolarHBondContact OG1-OD1 3.15Å
707	I	95.4	Very high	94.8	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.108	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.3	169.2	59.3	169.8	0	0	0	110.3	Q680 W682 T689 A690 I692 Y705 V709	Q680-I707 HydrophobicContact CG-CD1 4.29Å; W682-I707 HydrophobicContact CZ2-CD1 3.97Å; T689-I707 VanDerWaalsContact CA-O 3.32Å; T689-I707 WeakPolarHBondContact CA-O 3.34Å; A690-I707 HydrophobicContact CB-CG1 4.08Å; A690-I707 PolarHBondContact N-O 2.94Å; A690-I707 WeakPolarHBondContact O-CG1 3.14Å; A690-I707 PolarHBondContact O-N 3.44Å; I692-I707 HydrophobicContact CD1-CD1 3.85Å; I692-I707 HydrophobicContact CD1-CG1 4.28Å; I692-I707 HydrophobicContact CG1-CD1 3.98Å; I692-I707 HydrophobicContact CG1-CG1 4.09Å; I692-I707 HydrophobicContact CG1-CG2 4.25Å; Y705-I707 HydrophobicContact CD2-CG2 3.91Å; Y705-I707 HydrophobicContact CE2-CG2 3.9Å; I707-V709 HydrophobicContact CD1-CG2 4.33Å; I707-V709 HydrophobicContact CG1-CG2 4.46Å
708	T	94.6	Very high	94.7	Very high	96 Å²	96	50.8 Å²	50.8	59%	0.589	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	170.8	-61.7	0	0	0	0	109.2
709	V	93.6	Very high	94.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	103.5	-176.7	-173.6	0	0	0	0	108.7	R646 W682 N687 L688 I707 A713 T716	R646-V709 PolarHBondContact NH1-O 2.93Å; W682-V709 HydrophobicContact CB-CG1 4.28Å; W682-V709 HydrophobicContact CD2-CG1 3.6Å; W682-V709 HydrophobicContact CD2-CG2 4.16Å; W682-V709 HydrophobicContact CE3-CG1 4.04Å; W682-V709 HydrophobicContact CE3-CG2 4.48Å; W682-V709 HydrophobicContact CG-CG1 3.69Å; W682-V709 HydrophobicContact CH2-CG2 3.9Å; W682-V709 HydrophobicContact CZ2-CG2 3.51Å; W682-V709 HydrophobicContact CZ3-CG2 4.35Å; N687-V709 WeakPolarHBondContact CA-O 3.03Å; L688-V709 HydrophobicContact CD1-CB 3.75Å; L688-V709 HydrophobicContact CD1-CG2 3.61Å; L688-V709 HydrophobicContact CG-CB 4.11Å; L688-V709 PolarHBondContact N-O 2.95Å; L688-V709 PolarHBondContact O-N 3.1Å; I707-V709 HydrophobicContact CD1-CG2 4.33Å; I707-V709 HydrophobicContact CG1-CG2 4.46Å; V709-A713 HydrophobicContact CG1-CB 4.19Å; V709-T716 HydrophobicContact CG2-CG2 4.38Å
710	E	93.5	Very high	94.6	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	26%	0.264	S	S	*	.			trans	-67	169.5	-179.6	-57	-174.6	145.4	0	0	112.5	R646 D712 A713	R646-E710 PolarHBondContact NH1-O 3.38Å; R646-E710 PolarHBondContact NH2-O 2.63Å; E710-D712 PolarHBondContact O-N 2.83Å; E710-A713 HydrophobicContact CB-CB 4.16Å; E710-A713 WeakPolarHBondContact O-CB 3.18Å; E710-A713 PolarHBondContact O-N 2.77Å
711	M	92.7	Very high	94.6	Very high	120 Å²	120	56.1 Å²	56.1	59%	0.591	29%	0.285	S	S	*	.	S	Bend	trans	-64.1	-41.3	-169.5	-177.1	-178.1	-65.7	0	0	113.7	R646 R684 G685 N687	R646-M711 PolarHBondContact NH2-O 3.37Å; R684-M711 WeakPolarHBondContact CA-O 3.45Å; G685-M711 PolarHBondContact N-O 3.48Å; G685-M711 VanDerWaalsContact O-CA 3.25Å; G685-M711 WeakPolarHBondContact O-CA 3.45Å; G685-M711 WeakPolarHBondContact O-CG 3.44Å; N687-M711 PolarHBondContact OD1-N 3.09Å
712	D	92.2	Very high	94.6	Very high	108 Å²	108	56.1 Å²	56.1	58%	0.578	29%	0.285	S	S	*	.	S	Bend	trans	-103.6	4.8	179.3	67.1	-40.2	0	0	0	113.2	E710 E714	E710-D712 PolarHBondContact O-N 2.83Å; D712-E714 PolarHBondContact O-N 3.42Å; D712-E714 VanDerWaalsContact O-N 3.11Å
713	A	91.9	Very high	94.6	Very high	18 Å²	18	59.4 Å²	59.4	15%	0.149	30%	0.3	C	S	.	.			trans	-58.9	115.6	171.1	0	0	0	0	0	110.3	R646 W682 V709 E710	R646-A713 PolarHBondContact NH2-O 2.81Å; W682-A713 WeakPolarHBondContact CB-O 3.48Å; V709-A713 HydrophobicContact CG1-CB 4.19Å; E710-A713 HydrophobicContact CB-CB 4.16Å; E710-A713 WeakPolarHBondContact O-CB 3.18Å; E710-A713 PolarHBondContact O-N 2.77Å
714	E	93.4	Very high	94.5	Very high	63 Å²	63	62.7 Å²	62.7	29%	0.294	32%	0.315	S	S	.	.			trans	-92.6	-26	177.2	-67.9	168.6	170.2	0	0	111.9	R661 W682 R684 D712	R661-E714 IonicContact CZ-OE2 3.97Å; R661-E714 VanDerWaalsContact CZ-OE2 3.26Å; R661-E714 IonicContact NH1-OE2 2.75Å; R661-E714 PolarHBondContact NH1-OE2 3.1Å; R661-E714 IonicContact NH2-OE2 3.05Å; R661-E714 PolarHBondContact NH2-OE2 2.82Å; W682-E714 PolarHBondContact N-O 3.47Å; R684-E714 IonicContact NH2-OE1 2.7Å; R684-E714 PolarHBondContact NH2-OE1 3.1Å; D712-E714 PolarHBondContact O-N 3.42Å; D712-E714 VanDerWaalsContact O-N 3.11Å
715	Y	95.1	Very high	94.6	Very high	59 Å²	59	62 Å²	62	23%	0.231	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	136.6	-177.2	-77	-99.8	0	0	0	109.7	W656 R661 V679 Q680 K681	W656-Y715 AromaticContact CH2-CD1 3.89Å; W656-Y715 HydrophobicContact CH2-CD1 3.89Å; W656-Y715 AromaticContact CH2-CE1 3.98Å; W656-Y715 HydrophobicContact CH2-CE1 3.98Å; W656-Y715 HydrophobicContact CZ2-CD1 4.28Å; R661-Y715 HydrophobicContact CB-CD1 4.45Å; R661-Y715 HydrophobicContact CB-CE1 4.12Å; R661-Y715 HydrophobicContact CB-CE2 4.3Å; R661-Y715 HydrophobicContact CG-CD2 4.46Å; V679-Y715 HydrophobicContact CG1-CD1 3.7Å; V679-Y715 HydrophobicContact CG1-CE1 4.25Å; Q680-Y715 CarbonylContact O-C 3.56Å; Q680-Y715 WeakPolarHBondContact O-CA 3.46Å; K681-Y715 HydrophobicContact CB-CD1 4.47Å; K681-Y715 HydrophobicContact CB-CE1 4.21Å; K681-Y715 HydrophobicContact CD-CE1 4.24Å; K681-Y715 HydrophobicContact CD-CE2 4.43Å; K681-Y715 WeakPolarHBondContact CE-OH 3.35Å; K681-Y715 HydrophobicContact CG-CE1 4.1Å; K681-Y715 HydrophobicContact CG-CE2 4.17Å; K681-Y715 PolarHBondContact NZ-OH 3.38Å
716	T	95.3	Very high	94.7	Very high	22 Å²	22	60.3 Å²	60.3	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.6	162.6	55.6	0	0	0	0	109.6	V679 Q680 W682 V709	V679-T716 WeakPolarHBondContact CA-O 3.28Å; Q680-T716 PolarHBondContact N-O 2.94Å; Q680-T716 PolarHBondContact O-N 3.46Å; Q680-T716 PolarHBondContact OE1-O 3.46Å; Q680-T716 PolarHBondContact OE1-OG1 2.94Å; W682-T716 PolarHBondContact NE1-OG1 3Å; V709-T716 HydrophobicContact CG2-CG2 4.38Å
717	Q	94.3	Very high	94.8	Very high	101 Å²	101	55.7 Å²	55.7	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.7	-174.2	53.2	175.4	97.6	0	0	110.5	W656 L677 A678 V679	W656-Q717 VanDerWaalsContact NE1-CD 3.35Å; L677-Q717 HydrophobicContact CD2-CB 4.15Å; A678-Q717 WeakPolarHBondContact O-CA 3.49Å; V679-Q717 HydrophobicContact CG2-CB 4.23Å
718	Y	94.7	Very high	95	Very high	102 Å²	102	54.9 Å²	54.9	40%	0.4	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.7	170.4	-172.2	-100.6	0	0	0	111.1	A678 Y705 P720	A678-Y718 PolarHBondContact N-O 2.71Å; A678-Y718 PolarHBondContact O-N 2.8Å; A678-Y718 VanDerWaalsContact O-N 3.09Å; Y705-Y718 HydrophobicContact CD1-CD1 4.1Å; Y705-Y718 AromaticContact CD1-CE1 3.97Å; Y705-Y718 HydrophobicContact CD1-CE1 3.97Å; Y705-Y718 HydrophobicContact CD2-CD1 4.13Å; Y705-Y718 HydrophobicContact CD2-CE1 4.46Å; Y705-Y718 HydrophobicContact CD2-CG 4.45Å; Y705-Y718 AromaticContact CE1-CD1 3.57Å; Y705-Y718 HydrophobicContact CE1-CD1 3.57Å; Y705-Y718 AromaticContact CE1-CE1 3.82Å; Y705-Y718 HydrophobicContact CE1-CE1 3.82Å; Y705-Y718 AromaticContact CE2-CD1 3.6Å; Y705-Y718 HydrophobicContact CE2-CD1 3.6Å; Y705-Y718 HydrophobicContact CE2-CE1 4.32Å; Y705-Y718 AromaticContact CE2-CG 3.89Å; Y705-Y718 HydrophobicContact CE2-CG 3.89Å; Y705-Y718 HydrophobicContact CG-CD1 4.37Å; Y705-Y718 HydrophobicContact CG-CE1 4.3Å; Y705-Y718 AromaticContact CZ-CD1 3.3Å; Y705-Y718 AromaticContact CZ-CG 4Å; Y718-P720 HydrophobicContact CD1-CB 4.33Å; Y718-P720 HydrophobicContact CE1-CB 3.96Å
719	K	94.8	Very high	95.1	Very high	83 Å²	83	50.5 Å²	50.5	36%	0.361	25%	0.248	S	C	.	.			trans	-112.8	102	174.3	-166.9	-172.2	75.3	156.2	0	107.4	E675 L677	E675-K719 HydrophobicContact CB-CD 3.85Å; E675-K719 HydrophobicContact CB-CG 4.46Å; E675-K719 IonicContact OE1-NZ 3.47Å; E675-K719 PolarHBondContact OE1-NZ 3.03Å; E675-K719 IonicContact OE2-NZ 3.65Å; E675-K719 PolarHBondContact OE2-NZ 3.23Å; L677-K719 HydrophobicContact CB-CB 4.11Å; L677-K719 HydrophobicContact CB-CG 4.12Å; L677-K719 HydrophobicContact CD1-CB 4.08Å; L677-K719 HydrophobicContact CG-CB 4.01Å
720	P	94.4	Very high	95.3	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.032	26%	0.257	C	S	.	.			trans	-64.7	140.1	176.6	26.5	-32.6	0	0	0	110.4	W694 A703 Y705 Y718 L722	W694-P720 HydrophobicContact CD2-CG 4.11Å; W694-P720 HydrophobicContact CH2-CG 4.18Å; W694-P720 HydrophobicContact CZ2-CG 3.66Å; A703-P720 HydrophobicContact CB-CB 4.15Å; Y705-P720 HydrophobicContact CE1-CB 4.48Å; Y718-P720 HydrophobicContact CD1-CB 4.33Å; Y718-P720 HydrophobicContact CE1-CB 3.96Å; P720-L722 HydrophobicContact CB-CD2 3.88Å; P720-L722 HydrophobicContact CB-CG 3.97Å; P720-L722 HydrophobicContact CG-CD1 4.03Å; P720-L722 HydrophobicContact CG-CD2 4.07Å; P720-L722 HydrophobicContact CG-CG 3.83Å; P720-L722 PolarHBondContact O-N 3.24Å
721	P	95.4	Very high	95.5	Very high	84 Å²	84	45.9 Å²	45.9	55%	0.545	23%	0.23	S	C	.	.			trans	-79.9	64	178.4	33.5	-34.4	0	0	0	110.3	L778	P721-L778 HydrophobicContact CG-CD2 3.84Å; P721-L778 VanDerWaalsContact O-CD2 3.26Å; P721-L778 WeakPolarHBondContact O-CD2 3.43Å
722	L	95.9	Very high	95.8	Very high	10 Å²	10	41 Å²	41	5%	0.052	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-68.7	132.6	-177.7	-56.4	176.5	0	0	0	110.5	W694 A702 A703 P720 H724 L726 W731 Y777	W694-L722 HydrophobicContact CE3-CD1 4.37Å; A702-L722 HydrophobicContact CB-CD2 4.21Å; A703-L722 HydrophobicContact CB-CD2 4Å; P720-L722 HydrophobicContact CB-CD2 3.88Å; P720-L722 HydrophobicContact CB-CG 3.97Å; P720-L722 HydrophobicContact CG-CD1 4.03Å; P720-L722 HydrophobicContact CG-CD2 4.07Å; P720-L722 HydrophobicContact CG-CG 3.83Å; P720-L722 PolarHBondContact O-N 3.24Å; L722-H724 PolarHBondContact O-CE1 3Å; L722-L726 HydrophobicContact CB-CD2 3.82Å; L722-L726 HydrophobicContact CD1-CD2 3.96Å; L722-W731 HydrophobicContact CD1-CH2 4.3Å; L722-W731 HydrophobicContact CD1-CZ3 4.22Å; L722-Y777 CarbonylContact C-O 3.56Å; L722-Y777 WeakPolarHBondContact CA-O 3.37Å; L722-Y777 HydrophobicContact CB-CD1 4.43Å
723	Q	96.1	Very high	96.1	Very high	70 Å²	70	35.9 Å²	35.9	33%	0.327	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-66.3	144.7	171.8	-62	-171.1	18.1	0	0	111.7	P772 L776 Y777 D779	Q723-P772 HydrophobicContact CB-CB 4Å; Q723-L776 PolarHBondContact OE1-O 2.87Å; Q723-Y777 PolarHBondContact N-O 2.87Å; Q723-D779 PolarHBondContact NE2-OD1 2.95Å
724	H	95.2	Very high	96.3	Very high	70 Å²	70	37 Å²	37	32%	0.324	18%	0.181	S	C	.	.	S	Bend	trans	-101.5	160	-176.7	-66	98.5	0	0	0	112.9	L673 D674 L722	L673-H724 HydrophobicContact CD2-CB 4.39Å; D674-H724 PolarHBondContact O-NE2 2.31Å; L722-H724 PolarHBondContact O-CE1 3Å
725	P	97	Very high	96.4	Very high	9 Å²	9	34 Å²	34	6%	0.058	17%	0.167	C	C	.	.	S	Bend	cis	-74.8	146.3	-7.9	29	-31	0	0	0	112.1	P672 L673 R727 W767 G771 P772	P672-P725 HydrophobicContact CB-CB 3.89Å; P672-P725 CarbonylContact O-C 3.59Å; P672-P725 VanDerWaalsContact O-CA 3.24Å; P672-P725 WeakPolarHBondContact O-CA 3.38Å; L673-P725 HydrophobicContact CD2-CB 4.06Å; P725-R727 PolarHBondContact O-N 3.11Å; P725-W767 HydrophobicContact CG-CE3 4.04Å; P725-W767 HydrophobicContact CG-CZ3 4.35Å; P725-W767 WeakPolarHBondContact CG-O 3.44Å; P725-G771 CarbonylContact O-C 3.15Å; P725-G771 WeakPolarHBondContact O-CA 3.46Å; P725-P772 VanDerWaalsContact O-CD 3.26Å; P725-P772 WeakPolarHBondContact O-CD 3.39Å; P725-P772 VanDerWaalsContact O-N 3.12Å
726	L	98.2	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-66.2	128.6	170.7	-59.4	-178	0	0	0	109.7	P672 D674 P676 L722 P728 W731 V749 Y777	P672-L726 PolarHBondContact O-N 2.99Å; D674-L726 WeakPolarHBondContact O-CD1 3.5Å; P676-L726 HydrophobicContact CG-CD1 3.77Å; L722-L726 HydrophobicContact CB-CD2 3.82Å; L722-L726 HydrophobicContact CD1-CD2 3.96Å; L726-P728 WeakPolarHBondContact O-CD 3.39Å; L726-W731 HydrophobicContact CB-CZ2 3.99Å; L726-W731 HydrophobicContact CD2-CH2 4.07Å; L726-W731 HydrophobicContact CD2-CZ2 4.05Å; L726-V749 HydrophobicContact CB-CG1 4Å; L726-V749 HydrophobicContact CB-CG2 4.26Å; L726-V749 HydrophobicContact CD1-CG2 4.3Å; L726-Y777 HydrophobicContact CD2-CD1 4.09Å; L726-Y777 HydrophobicContact CD2-CE1 3.95Å
727	R	97.9	Very high	96	Very high	8 Å²	8	32.4 Å²	32.4	3%	0.03	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-58.2	123.9	178.8	179.1	163.5	-69.8	129	-1.1	111	D696 P697 P725 W731 S770 N775 Y777	D696-R727 WeakPolarHBondContact OD2-CD 3.44Å; D696-R727 IonicContact OD2-CZ 3.65Å; D696-R727 IonicContact OD2-NE 3.89Å; D696-R727 IonicContact OD2-NH1 3.55Å; D696-R727 PolarHBondContact OD2-NH1 2.74Å; P697-R727 HydrophobicContact CG-CG 4.47Å; P725-R727 PolarHBondContact O-N 3.11Å; R727-W731 PolarHBondContact O-NE1 3.47Å; R727-S770 PolarHBondContact NE-O 2.03Å; R727-S770 PolarHBondContact NH2-O 3.39Å; R727-N775 PolarHBondContact NH1-OD1 3.47Å; R727-N775 PolarHBondContact NH2-OD1 3.1Å; R727-Y777 WeakPolarHBondContact CB-OH 3.25Å; R727-Y777 PolarHBondContact N-OH 3.33Å
728	P	98.2	Very high	95.6	Very high	5 Å²	5	35 Å²	35	3%	0.032	17%	0.171	C	C	.	.	S	Bend	trans	-67.1	150.5	179.3	-18.3	30.7	0	0	0	113.3	P672 L726 V749 P751 H769 W815	P672-P728 HydrophobicContact CG-CG 4.2Å; L726-P728 WeakPolarHBondContact O-CD 3.39Å; P728-V749 CarbonylContact C-O 3.53Å; P728-V749 VanDerWaalsContact CA-O 3.27Å; P728-V749 WeakPolarHBondContact CA-O 3.34Å; P728-P751 HydrophobicContact CB-CB 3.68Å; P728-P751 HydrophobicContact CB-CG 4.1Å; P728-P751 HydrophobicContact CG-CB 4.03Å; P728-H769 WeakPolarHBondContact CD-O 3.49Å; P728-H769 HydrophobicContact CG-CB 3.97Å; P728-W815 HydrophobicContact CB-CH2 3.83Å; P728-W815 HydrophobicContact CB-CZ2 4.16Å; P728-W815 HydrophobicContact CG-CH2 4.19Å
729	G	97.9	Very high	95.4	Very high	4 Å²	4	36 Å²	36	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.4	-165.6	-179.1	0	0	0	0	0	113.4	W731 V749	G729-W731 PolarHBondContact O-N 2.92Å; G729-V749 PolarHBondContact N-O 2.91Å; G729-V749 PolarHBondContact O-N 3.11Å
730	A	97.6	Very high	95.1	Very high	22 Å²	22	38.9 Å²	38.9	18%	0.182	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	96	-178	0	0	0	0	0	112.2	R746 F823	A730-R746 VanDerWaalsContact CB-NH2 3.3Å; A730-F823 HydrophobicContact CB-CE2 3.71Å; A730-F823 HydrophobicContact CB-CZ 3.62Å
731	W	98.3	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	156.1	169.1	-79	68.6	0	0	0	111.4	W694 D696 P697 A702 L722 L726 R727 G729 R746 F747 V749 Y777	W694-W731 HydrophobicContact CE3-CE3 4.46Å; D696-W731 HydrophobicContact CB-CD2 4.22Å; D696-W731 HydrophobicContact CB-CE3 4.24Å; D696-W731 HydrophobicContact CB-CH2 3.83Å; D696-W731 HydrophobicContact CB-CZ2 3.77Å; D696-W731 HydrophobicContact CB-CZ3 4.07Å; P697-W731 HydrophobicContact CG-CG 4.45Å; A702-W731 HydrophobicContact CB-CH2 3.9Å; A702-W731 HydrophobicContact CB-CZ3 3.62Å; L722-W731 HydrophobicContact CD1-CH2 4.3Å; L722-W731 HydrophobicContact CD1-CZ3 4.22Å; L726-W731 HydrophobicContact CB-CZ2 3.99Å; L726-W731 HydrophobicContact CD2-CH2 4.07Å; L726-W731 HydrophobicContact CD2-CZ2 4.05Å; R727-W731 PolarHBondContact O-NE1 3.47Å; G729-W731 PolarHBondContact O-N 2.92Å; W731-R746 CarbonylContact O-C 3.52Å; W731-R746 WeakPolarHBondContact O-CA 3.33Å; W731-R746 WeakPolarHBondContact O-CB 3.37Å; W731-F747 HydrophobicContact CB-CD1 3.66Å; W731-F747 HydrophobicContact CB-CD2 4.3Å; W731-F747 HydrophobicContact CB-CE1 3.3Å; W731-F747 HydrophobicContact CB-CE2 3.99Å; W731-F747 HydrophobicContact CB-CG 4.15Å; W731-F747 HydrophobicContact CB-CZ 3.48Å; W731-F747 VanDerWaalsContact CB-CZ 3.48Å; W731-F747 HydrophobicContact CD2-CE1 4.4Å; W731-F747 AromaticContact CD2-CZ 3.92Å; W731-F747 HydrophobicContact CD2-CZ 3.92Å; W731-F747 HydrophobicContact CE3-CE1 4.37Å; W731-F747 HydrophobicContact CE3-CZ 4.06Å; W731-F747 HydrophobicContact CG-CE1 4.02Å; W731-F747 HydrophobicContact CG-CE2 4.12Å; W731-F747 AromaticContact CG-CZ 3.7Å; W731-F747 HydrophobicContact CG-CZ 3.7Å; W731-F747 PolarHBondContact N-O 3.23Å; W731-F747 PolarHBondContact O-N 3.1Å; W731-V749 HydrophobicContact CD2-CG2 4.49Å; W731-V749 HydrophobicContact CG-CG2 4.09Å; W731-Y777 AromaticContact CH2-CD1 3.91Å; W731-Y777 HydrophobicContact CH2-CD1 3.91Å; W731-Y777 AromaticContact CH2-CE1 3.46Å; W731-Y777 HydrophobicContact CH2-CE1 3.46Å; W731-Y777 VanDerWaalsContact CH2-CE1 3.46Å; W731-Y777 HydrophobicContact CH2-CE2 4.15Å; W731-Y777 HydrophobicContact CH2-CG 4.44Å; W731-Y777 AromaticContact CH2-CZ 3.58Å; W731-Y777 AromaticContact CZ2-CE1 3.67Å; W731-Y777 HydrophobicContact CZ2-CE1 3.67Å; W731-Y777 AromaticContact CZ2-CZ 3.68Å
732	T	98.1	Very high	94.8	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.11	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.7	179.5	-53.9	0	0	0	0	110.3	I695 R734 E744 V745 R746	I695-T732 PolarHBondContact N-O 2.8Å; I695-T732 PolarHBondContact O-N 2.98Å; T732-R734 HydrophobicContact CG2-CG 4.38Å; T732-E744 HydrophobicContact CG2-CG 3.43Å; T732-E744 VanDerWaalsContact CG2-CG 3.43Å; T732-V745 WeakPolarHBondContact CA-O 3.48Å; T732-R746 HydrophobicContact CG2-CG 4.21Å
733	V	98	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.3	173.1	-175.6	0	0	0	0	109.3	I652 I692 V693 W694 E744 V745 F747	I652-V733 HydrophobicContact CD1-CB 3.94Å; I652-V733 HydrophobicContact CD1-CG1 4.14Å; I652-V733 HydrophobicContact CD1-CG2 3.72Å; I652-V733 HydrophobicContact CG1-CG2 4.12Å; I692-V733 HydrophobicContact CG2-CG1 3.75Å; V693-V733 CarbonylContact O-C 3.59Å; V693-V733 WeakPolarHBondContact O-CA 3.08Å; W694-V733 HydrophobicContact CD2-CG1 4.38Å; W694-V733 HydrophobicContact CD2-CG2 3.6Å; W694-V733 HydrophobicContact CE3-CG2 3.52Å; W694-V733 HydrophobicContact CG-CG1 4.44Å; W694-V733 HydrophobicContact CG-CG2 4.09Å; W694-V733 HydrophobicContact CH2-CG2 4.49Å; W694-V733 HydrophobicContact CZ3-CG2 3.98Å; V733-E744 WeakPolarHBondContact O-CA 3.33Å; V733-V745 HydrophobicContact CB-CG1 3.94Å; V733-V745 PolarHBondContact N-O 2.98Å; V733-V745 PolarHBondContact O-N 3.31Å; V733-F747 HydrophobicContact CG2-CD1 4.26Å; V733-F747 HydrophobicContact CG2-CE1 3.84Å
734	R	96.4	Very high	94.7	Very high	43 Å²	43	36.4 Å²	36.4	16%	0.162	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.4	-179.1	-68.4	-179.9	171.1	173.3	-2.4	111.1	I692 V693 I695 T732 L736 A743 E744 L789	I692-R734 WeakPolarHBondContact CA-O 3.39Å; V693-R734 PolarHBondContact N-O 2.93Å; V693-R734 PolarHBondContact O-N 3.05Å; I695-R734 HydrophobicContact CD1-CG 4.32Å; T732-R734 HydrophobicContact CG2-CG 4.38Å; R734-L736 HydrophobicContact CB-CD2 3.89Å; R734-A743 WeakPolarHBondContact CA-O 3.3Å; R734-E744 HydrophobicContact CG-CG 4.15Å; R734-E744 IonicContact CZ-OE2 3.71Å; R734-E744 VanDerWaalsContact CZ-OE2 3.25Å; R734-E744 IonicContact NE-OE2 2.73Å; R734-E744 PolarHBondContact NE-OE2 3.04Å; R734-E744 IonicContact NH2-OE2 2.69Å; R734-E744 PolarHBondContact NH2-OE2 2.78Å; R734-L789 PolarHBondContact NH1-O 3.04Å
735	V	95	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.4	163.7	-176.5	0	0	0	0	107.7	F644 L647 L650 A690 I692 V742 A743	F644-V735 HydrophobicContact CE1-CG1 4.16Å; L647-V735 HydrophobicContact CD2-CB 4.36Å; L647-V735 HydrophobicContact CD2-CG1 4.28Å; L647-V735 HydrophobicContact CD2-CG2 4.22Å; L650-V735 HydrophobicContact CD1-CG2 4.22Å; L650-V735 HydrophobicContact CD2-CG2 3.73Å; A690-V735 HydrophobicContact CB-CG1 4Å; I692-V735 HydrophobicContact CD1-CB 4.37Å; I692-V735 HydrophobicContact CD1-CG1 4.23Å; I692-V735 HydrophobicContact CD1-CG2 3.79Å; V735-V742 HydrophobicContact CG1-CB 4.44Å; V735-V742 WeakPolarHBondContact O-CB 3.33Å; V735-V742 PolarHBondContact O-N 2.85Å; V735-A743 HydrophobicContact CB-CB 4.32Å; V735-A743 HydrophobicContact CG2-CB 4.47Å; V735-A743 PolarHBondContact N-O 2.86Å; V735-A743 PolarHBondContact O-N 2.89Å
736	L	93.1	Very high	94.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.4	-178.5	-41.6	176.7	0	0	0	111.5	A690 T691 V693 R734 W739 K740 R741 L789	A690-L736 WeakPolarHBondContact CA-O 3.09Å; T691-L736 PolarHBondContact N-O 2.8Å; T691-L736 PolarHBondContact O-N 2.61Å; V693-L736 HydrophobicContact CG2-CD1 3.7Å; V693-L736 HydrophobicContact CG2-CG 4.33Å; R734-L736 HydrophobicContact CB-CD2 3.89Å; L736-W739 HydrophobicContact CD1-CE3 3.97Å; L736-W739 HydrophobicContact CD1-CZ3 4.37Å; L736-K740 CarbonylContact C-O 3.57Å; L736-K740 WeakPolarHBondContact CA-O 3.2Å; L736-K740 WeakPolarHBondContact CB-O 3.43Å; L736-R741 HydrophobicContact CD2-CB 4.18Å; L736-R741 HydrophobicContact CD2-CG 4.38Å; L736-L789 HydrophobicContact CD1-CD2 3.53Å
737	K	89.2	Confident	94.8	Very high	43 Å²	43	39 Å²	39	19%	0.187	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.5	162.8	-173.6	-171	-164.8	165.6	0	108.1	E643 F644 W739 K740 V742	E643-K737 IonicContact OE2-NZ 2.78Å; E643-K737 PolarHBondContact OE2-NZ 3.24Å; F644-K737 HydrophobicContact CD2-CB 4.16Å; F644-K737 HydrophobicContact CD2-CD 3.75Å; F644-K737 HydrophobicContact CD2-CG 4.26Å; F644-K737 HydrophobicContact CE2-CB 3.63Å; F644-K737 HydrophobicContact CE2-CD 3.5Å; F644-K737 VanDerWaalsContact CE2-CD 3.5Å; F644-K737 HydrophobicContact CE2-CG 3.6Å; F644-K737 HydrophobicContact CZ-CB 4.01Å; F644-K737 HydrophobicContact CZ-CG 4.29Å; K737-W739 PolarHBondContact O-N 3.18Å; K737-K740 PolarHBondContact N-O 3Å; K737-K740 WeakPolarHBondContact O-CB 3.41Å; K737-K740 PolarHBondContact O-N 3.22Å; K737-V742 HydrophobicContact CB-CG2 3.93Å
738	Q	87.4	Confident	94.8	Very high	155 Å²	155	39 Å²	39	72%	0.724	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	47.6	178.7	-61.8	168.6	-25.7	0	0	111.6	K740	Q738-K740 PolarHBondContact O-N 2.68Å
739	W	89.4	Confident	94.8	Very high	123 Å²	123	38.8 Å²	38.8	47%	0.466	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-1.3	-175	-52.4	104.9	0	0	0	117.2	T691 L736 K737 L785 V788 L789	T691-W739 HydrophobicContact CG2-CZ3 4.49Å; L736-W739 HydrophobicContact CD1-CE3 3.97Å; L736-W739 HydrophobicContact CD1-CZ3 4.37Å; K737-W739 PolarHBondContact O-N 3.18Å; W739-L785 HydrophobicContact CH2-CD1 4.4Å; W739-L785 HydrophobicContact CH2-CD2 3.72Å; W739-L785 HydrophobicContact CZ3-CD1 4.36Å; W739-L785 HydrophobicContact CZ3-CD2 3.91Å; W739-V788 HydrophobicContact CB-CG1 4.15Å; W739-V788 HydrophobicContact CD2-CG1 3.9Å; W739-V788 HydrophobicContact CE3-CG1 3.91Å; W739-V788 HydrophobicContact CG-CG1 4Å; W739-L789 HydrophobicContact CE3-CD2 4.46Å
740	K	88.9	Confident	94.7	Very high	144 Å²	144	38.8 Å²	38.8	63%	0.626	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82	132.7	168.6	-61.7	178.9	-179.5	176.3	0	109.8	L736 K737 Q738	L736-K740 CarbonylContact C-O 3.57Å; L736-K740 WeakPolarHBondContact CA-O 3.2Å; L736-K740 WeakPolarHBondContact CB-O 3.43Å; K737-K740 PolarHBondContact N-O 3Å; K737-K740 WeakPolarHBondContact O-CB 3.41Å; K737-K740 PolarHBondContact O-N 3.22Å; Q738-K740 PolarHBondContact O-N 2.68Å
741	R	91.1	Very high	94.7	Very high	85 Å²	85	37.7 Å²	37.7	32%	0.321	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	143	173.5	-165.9	169.6	71.2	165.9	2	110.1	E638 L641 L736 E744	E638-R741 HydrophobicContact CG-CB 4.4Å; E638-R741 HydrophobicContact CG-CG 4.38Å; E638-R741 IonicContact OE1-CZ 3.66Å; E638-R741 IonicContact OE1-NE 3.89Å; E638-R741 PolarHBondContact OE1-NE 3.47Å; E638-R741 IonicContact OE1-NH2 2.82Å; E638-R741 PolarHBondContact OE1-NH2 2.96Å; L641-R741 VanDerWaalsContact CD1-O 3.29Å; L641-R741 WeakPolarHBondContact CD1-O 3.43Å; L736-R741 HydrophobicContact CD2-CB 4.18Å; L736-R741 HydrophobicContact CD2-CG 4.38Å; R741-E744 WeakPolarHBondContact CD-OE2 3.5Å; R741-E744 IonicContact CZ-OE2 2.74Å; R741-E744 IonicContact NE-OE2 2.74Å; R741-E744 IonicContact NH1-OE1 3.97Å; R741-E744 PolarHBondContact NH1-OE1 2.6Å; R741-E744 IonicContact NH1-OE2 3.25Å; R741-E744 PolarHBondContact NH1-OE2 2.95Å
742	V	92	Very high	94.6	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-47.2	176.4	-171.3	0	0	0	0	110.7	E638 L641 F644 V735 K737	E638-V742 WeakPolarHBondContact CB-O 3.43Å; E638-V742 PolarHBondContact N-O 2.82Å; L641-V742 HydrophobicContact CD1-CB 4.1Å; L641-V742 HydrophobicContact CD1-CG1 4.02Å; L641-V742 HydrophobicContact CD1-CG2 3.94Å; F644-V742 HydrophobicContact CB-CG1 3.5Å; F644-V742 VanDerWaalsContact CB-CG1 3.5Å; F644-V742 HydrophobicContact CD1-CB 4.29Å; F644-V742 HydrophobicContact CD1-CG1 3.58Å; F644-V742 HydrophobicContact CD1-CG2 4.1Å; F644-V742 HydrophobicContact CE1-CG1 4.44Å; F644-V742 HydrophobicContact CE1-CG2 4.27Å; F644-V742 HydrophobicContact CG-CG1 3.71Å; F644-V742 HydrophobicContact CG-CG2 4.23Å; V735-V742 HydrophobicContact CG1-CB 4.44Å; V735-V742 WeakPolarHBondContact O-CB 3.33Å; V735-V742 PolarHBondContact O-N 2.85Å; K737-V742 HydrophobicContact CB-CG2 3.93Å
743	A	94.2	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.4	176.6	0	0	0	0	0	109.9	L635 V636 F637 L647 R734 V735	L635-A743 HydrophobicContact CD1-CB 4.2Å; V636-A743 CarbonylContact O-C 3.59Å; V636-A743 WeakPolarHBondContact O-CA 3.46Å; F637-A743 HydrophobicContact CD1-CB 4.12Å; F637-A743 HydrophobicContact CE1-CB 4.38Å; L647-A743 HydrophobicContact CD2-CB 3.7Å; R734-A743 WeakPolarHBondContact CA-O 3.3Å; V735-A743 HydrophobicContact CB-CB 4.32Å; V735-A743 HydrophobicContact CG2-CB 4.47Å; V735-A743 PolarHBondContact N-O 2.86Å; V735-A743 PolarHBondContact O-N 2.89Å
744	E	95.4	Very high	94.3	Very high	28 Å²	28	39.2 Å²	39.2	13%	0.131	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.1	176.8	-172.9	167.9	95.2	0	0	108.5	L635 V636 T732 V733 R734 R741	L635-E744 WeakPolarHBondContact CA-O 3.34Å; V636-E744 PolarHBondContact N-O 2.91Å; V636-E744 PolarHBondContact O-N 2.89Å; T732-E744 HydrophobicContact CG2-CG 3.43Å; T732-E744 VanDerWaalsContact CG2-CG 3.43Å; V733-E744 WeakPolarHBondContact O-CA 3.33Å; R734-E744 HydrophobicContact CG-CG 4.15Å; R734-E744 IonicContact CZ-OE2 3.71Å; R734-E744 VanDerWaalsContact CZ-OE2 3.25Å; R734-E744 IonicContact NE-OE2 2.73Å; R734-E744 PolarHBondContact NE-OE2 3.04Å; R734-E744 IonicContact NH2-OE2 2.69Å; R734-E744 PolarHBondContact NH2-OE2 2.78Å; R741-E744 WeakPolarHBondContact CD-OE2 3.5Å; R741-E744 IonicContact CZ-OE2 2.74Å; R741-E744 IonicContact NE-OE2 2.74Å; R741-E744 IonicContact NH1-OE1 3.97Å; R741-E744 PolarHBondContact NH1-OE1 2.6Å; R741-E744 IonicContact NH1-OE2 3.25Å; R741-E744 PolarHBondContact NH1-OE2 2.95Å
745	V	96.9	Very high	94.1	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148	169.7	70.4	0	0	0	0	108.6	T634 L635 L650 I652 T732 V733	T634-V745 WeakPolarHBondContact OG1-CG2 3.4Å; L635-V745 HydrophobicContact CB-CG2 4.31Å; L635-V745 HydrophobicContact CD1-CB 4.22Å; L650-V745 HydrophobicContact CD2-CB 3.89Å; L650-V745 HydrophobicContact CD2-CG1 3.57Å; L650-V745 HydrophobicContact CG-CB 4.16Å; L650-V745 HydrophobicContact CG-CG1 3.72Å; I652-V745 HydrophobicContact CD1-CG1 3.94Å; I652-V745 HydrophobicContact CG1-CG1 3.63Å; T732-V745 WeakPolarHBondContact CA-O 3.48Å; V733-V745 HydrophobicContact CB-CG1 3.94Å; V733-V745 PolarHBondContact N-O 2.98Å; V733-V745 PolarHBondContact O-N 3.31Å
746	R	97.6	Very high	93.9	Very high	108 Å²	108	45.4 Å²	45.4	41%	0.408	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141	173.7	-64.5	171.8	65.6	-144.2	1.3	109.6	T634 A730 W731 T732 F823	T634-R746 WeakPolarHBondContact CB-O 3.13Å; T634-R746 HydrophobicContact CG2-CB 4.38Å; T634-R746 PolarHBondContact OG1-N 2.85Å; T634-R746 PolarHBondContact OG1-O 2.87Å; A730-R746 VanDerWaalsContact CB-NH2 3.3Å; W731-R746 CarbonylContact O-C 3.52Å; W731-R746 WeakPolarHBondContact O-CA 3.33Å; W731-R746 WeakPolarHBondContact O-CB 3.37Å; T732-R746 HydrophobicContact CG2-CG 4.21Å; R746-F823 HydrophobicContact CB-CE1 3.96Å; R746-F823 HydrophobicContact CB-CZ 4.23Å
747	F	97.8	Very high	93.8	Very high	14 Å²	14	48 Å²	48	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158	174.2	73.4	-82.8	0	0	0	110.5	I652 I670 P676 W694 W731 V733 V749	I652-F747 HydrophobicContact CB-CB 4.28Å; I652-F747 HydrophobicContact CB-CD1 3.99Å; I652-F747 HydrophobicContact CB-CG 4.12Å; I652-F747 HydrophobicContact CG1-CD1 3.86Å; I652-F747 HydrophobicContact CG1-CE1 4.39Å; I652-F747 HydrophobicContact CG1-CG 4.44Å; I652-F747 HydrophobicContact CG2-CD1 3.74Å; I652-F747 HydrophobicContact CG2-CD2 4.16Å; I652-F747 HydrophobicContact CG2-CE1 3.83Å; I652-F747 HydrophobicContact CG2-CE2 4.25Å; I652-F747 HydrophobicContact CG2-CG 3.91Å; I652-F747 HydrophobicContact CG2-CZ 4.1Å; I670-F747 HydrophobicContact CD1-CD2 3.85Å; I670-F747 HydrophobicContact CD1-CE2 4.3Å; P676-F747 HydrophobicContact CB-CE2 4.11Å; P676-F747 HydrophobicContact CB-CZ 4.23Å; P676-F747 HydrophobicContact CG-CE2 4.22Å; P676-F747 HydrophobicContact CG-CZ 4.15Å; W694-F747 AromaticContact CE3-CE1 3.98Å; W694-F747 HydrophobicContact CE3-CE1 3.98Å; W694-F747 HydrophobicContact CE3-CZ 4.12Å; W694-F747 AromaticContact CZ3-CE1 3.75Å; W694-F747 HydrophobicContact CZ3-CE1 3.75Å; W694-F747 AromaticContact CZ3-CZ 3.72Å; W694-F747 HydrophobicContact CZ3-CZ 3.72Å; W731-F747 HydrophobicContact CB-CD1 3.66Å; W731-F747 HydrophobicContact CB-CD2 4.3Å; W731-F747 HydrophobicContact CB-CE1 3.3Å; W731-F747 HydrophobicContact CB-CE2 3.99Å; W731-F747 HydrophobicContact CB-CG 4.15Å; W731-F747 HydrophobicContact CB-CZ 3.48Å; W731-F747 VanDerWaalsContact CB-CZ 3.48Å; W731-F747 HydrophobicContact CD2-CE1 4.4Å; W731-F747 AromaticContact CD2-CZ 3.92Å; W731-F747 HydrophobicContact CD2-CZ 3.92Å; W731-F747 HydrophobicContact CE3-CE1 4.37Å; W731-F747 HydrophobicContact CE3-CZ 4.06Å; W731-F747 HydrophobicContact CG-CE1 4.02Å; W731-F747 HydrophobicContact CG-CE2 4.12Å; W731-F747 AromaticContact CG-CZ 3.7Å; W731-F747 HydrophobicContact CG-CZ 3.7Å; W731-F747 PolarHBondContact N-O 3.23Å; W731-F747 PolarHBondContact O-N 3.1Å; V733-F747 HydrophobicContact CG2-CD1 4.26Å; V733-F747 HydrophobicContact CG2-CE1 3.84Å; F747-V749 HydrophobicContact CD2-CG2 4.28Å; F747-V749 HydrophobicContact CE2-CG2 3.63Å; F747-V749 HydrophobicContact CZ-CG2 4.42Å
748	L	98.1	Very high	93.9	Very high	10 Å²	10	52 Å²	52	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.6	-179.8	177.4	56	0	0	0	109.6	M750 L819 V820 F823	L748-M750 HydrophobicContact CD2-CE 4.05Å; L748-M750 HydrophobicContact CG-CB 4.39Å; L748-L819 HydrophobicContact CD1-CB 3.88Å; L748-L819 HydrophobicContact CD1-CD1 4.13Å; L748-L819 HydrophobicContact CD1-CD2 4.38Å; L748-L819 HydrophobicContact CD1-CG 4.37Å; L748-L819 HydrophobicContact CD2-CB 4.43Å; L748-V820 HydrophobicContact CD2-CG2 4.11Å; L748-F823 HydrophobicContact CB-CD1 4.31Å; L748-F823 HydrophobicContact CB-CD2 3.76Å; L748-F823 HydrophobicContact CB-CE1 4.45Å; L748-F823 HydrophobicContact CB-CE2 3.91Å; L748-F823 HydrophobicContact CB-CG 3.96Å; L748-F823 HydrophobicContact CB-CZ 4.26Å; L748-F823 HydrophobicContact CD1-CD2 4.33Å; L748-F823 HydrophobicContact CD1-CE2 4.23Å; L748-F823 HydrophobicContact CD2-CD2 4.16Å; L748-F823 HydrophobicContact CG-CD2 4.3Å
749	V	98.4	Very high	94.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.6	155.4	175	0	0	0	0	106.3	I670 L726 P728 G729 W731 F747	I670-V749 HydrophobicContact CG2-CG2 4.13Å; L726-V749 HydrophobicContact CB-CG1 4Å; L726-V749 HydrophobicContact CB-CG2 4.26Å; L726-V749 HydrophobicContact CD1-CG2 4.3Å; P728-V749 CarbonylContact C-O 3.53Å; P728-V749 VanDerWaalsContact CA-O 3.27Å; P728-V749 WeakPolarHBondContact CA-O 3.34Å; G729-V749 PolarHBondContact N-O 2.91Å; G729-V749 PolarHBondContact O-N 3.11Å; W731-V749 HydrophobicContact CD2-CG2 4.49Å; W731-V749 HydrophobicContact CG-CG2 4.09Å; F747-V749 HydrophobicContact CD2-CG2 4.28Å; F747-V749 HydrophobicContact CE2-CG2 3.63Å; F747-V749 HydrophobicContact CZ-CG2 4.42Å
750	M	96.3	Very high	94.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-79.3	127.1	-171.7	-167.2	172.9	-61.2	0	0	110.8	V559 T562 A563 I670 P672 L748 V820	V559-M750 HydrophobicContact CG1-CB 4.33Å; T562-M750 HydrophobicContact CG2-CG 4.22Å; T562-M750 HydrophobicContact CG2-SD 3.89Å; A563-M750 VanDerWaalsContact CA-SD 3.6Å; A563-M750 HydrophobicContact CB-CE 3.66Å; A563-M750 HydrophobicContact CB-SD 3.72Å; I670-M750 WeakPolarHBondContact O-CB 3.43Å; I670-M750 PolarHBondContact O-N 3.21Å; P672-M750 WeakPolarHBondContact CD-O 3.22Å; L748-M750 HydrophobicContact CD2-CE 4.05Å; L748-M750 HydrophobicContact CG-CB 4.39Å; M750-V820 HydrophobicContact CE-CG2 3.8Å; M750-V820 HydrophobicContact SD-CG2 4.31Å
751	P	96.8	Very high	93.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-67.8	136.1	167.7	26.2	-28.8	0	0	0	108.7	T562 P728 L812 W815 V816 L819	T562-P751 WeakPolarHBondContact CG2-O 3.38Å; P728-P751 HydrophobicContact CB-CB 3.68Å; P728-P751 HydrophobicContact CB-CG 4.1Å; P728-P751 HydrophobicContact CG-CB 4.03Å; P751-L812 HydrophobicContact CB-CD1 4.3Å; P751-W815 HydrophobicContact CB-CE3 3.93Å; P751-W815 HydrophobicContact CB-CH2 3.76Å; P751-W815 HydrophobicContact CB-CZ2 4.4Å; P751-W815 HydrophobicContact CB-CZ3 3.49Å; P751-W815 VanDerWaalsContact CB-CZ3 3.49Å; P751-W815 HydrophobicContact CG-CD2 4.09Å; P751-W815 HydrophobicContact CG-CE3 3.91Å; P751-W815 HydrophobicContact CG-CH2 4.02Å; P751-W815 HydrophobicContact CG-CZ2 4.18Å; P751-W815 HydrophobicContact CG-CZ3 3.88Å; P751-V816 HydrophobicContact CB-CG2 4.45Å; P751-V816 HydrophobicContact CG-CG2 3.83Å; P751-L819 HydrophobicContact CG-CD1 3.82Å
752	L	96.3	Very high	92.7	Very high	12 Å²	12	47 Å²	47	6%	0.063	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-84.8	133.5	-175.4	-51.8	-177.3	0	0	0	111.5	D558 V559 P672 F754 H769	D558-L752 HydrophobicContact CB-CD1 4.36Å; V559-L752 HydrophobicContact CB-CD2 4.17Å; V559-L752 HydrophobicContact CG1-CD2 4.24Å; V559-L752 HydrophobicContact CG2-CD2 3.99Å; P672-L752 HydrophobicContact CG-CG 4.14Å; L752-F754 WeakPolarHBondContact CB-O 3.4Å; L752-H769 PolarHBondContact N-NE2 3.11Å; L752-H769 VanDerWaalsContact N-NE2 3.14Å; L752-H769 PolarHBondContact O-CE1 3.43Å; L752-H769 VanDerWaalsContact O-CE1 3.32Å; L752-H769 PolarHBondContact O-NE2 2.75Å
753	T	95.4	Very high	91.5	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	24%	0.242	C	C	.	.	S	Bend	trans	-88.4	-10.4	167.7	53.9	0	0	0	0	112.7	T562 P759 L760 L812 V816	T562-T753 HydrophobicContact CG2-CG2 3.98Å; T562-T753 WeakPolarHBondContact CG2-OG1 3.39Å; T562-T753 PolarHBondContact OG1-N 3.42Å; T562-T753 VanDerWaalsContact OG1-N 3.1Å; T562-T753 PolarHBondContact OG1-OG1 3.24Å; T753-P759 WeakPolarHBondContact O-CA 3.44Å; T753-L760 PolarHBondContact O-N 2.89Å; T753-L812 HydrophobicContact CG2-CD2 4.41Å; T753-L812 HydrophobicContact CG2-CG 4.2Å; T753-V816 HydrophobicContact CG2-CB 4.48Å; T753-V816 HydrophobicContact CG2-CG2 3.71Å
754	F	93.6	Very high	90.4	Very high	28 Å²	28	60 Å²	60	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.8	-179.3	-55.8	-88.2	0	0	0	111.8	D558 L561 T565 L752 K757 E758 P759	D558-F754 HydrophobicContact CB-CB 4.3Å; D558-F754 WeakPolarHBondContact CB-O 3.15Å; L561-F754 HydrophobicContact CB-CD2 4.21Å; L561-F754 HydrophobicContact CB-CE2 4.48Å; L561-F754 HydrophobicContact CD2-CB 4.35Å; L561-F754 HydrophobicContact CD2-CD1 3.89Å; L561-F754 HydrophobicContact CD2-CD2 3.82Å; L561-F754 HydrophobicContact CD2-CE1 4.06Å; L561-F754 HydrophobicContact CD2-CE2 4.03Å; L561-F754 HydrophobicContact CD2-CG 3.76Å; L561-F754 HydrophobicContact CD2-CZ 4.14Å; L561-F754 HydrophobicContact CG-CD2 3.73Å; L561-F754 HydrophobicContact CG-CE2 3.67Å; L561-F754 HydrophobicContact CG-CG 4.22Å; L561-F754 HydrophobicContact CG-CZ 4.08Å; T565-F754 HydrophobicContact CG2-CE2 4.37Å; T565-F754 HydrophobicContact CG2-CZ 4.42Å; L752-F754 WeakPolarHBondContact CB-O 3.4Å; F754-K757 WeakPolarHBondContact CD1-O 3.46Å; F754-E758 CarbonylContact C-O 3.54Å; F754-E758 VanDerWaalsContact CA-O 3.24Å; F754-E758 WeakPolarHBondContact CA-O 3.28Å; F754-P759 HydrophobicContact CD1-CB 4.49Å; F754-P759 HydrophobicContact CD1-CG 4.21Å; F754-P759 HydrophobicContact CE1-CG 4.06Å
755	N	92.4	Very high	89.6	Confident	46 Å²	46	60.1 Å²	60.1	25%	0.246	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.8	168.9	-176.8	6.8	0	0	0	107.4	K757 E758 L760 D765	N755-K757 VanDerWaalsContact C-N 3.29Å; N755-K757 PolarHBondContact O-N 3.06Å; N755-E758 PolarHBondContact N-O 3.49Å; N755-E758 PolarHBondContact O-N 2.94Å; N755-E758 VanDerWaalsContact O-N 3.08Å; N755-L760 HydrophobicContact CB-CD1 3.83Å; N755-D765 PolarHBondContact ND2-OD1 2.86Å
756	N	91.3	Very high	88.9	Confident	128 Å²	128	60.9 Å²	60.9	68%	0.684	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.7	-172.4	-58.1	-71.1	0	0	0	113.6	D558 E758	D558-N756 PolarHBondContact OD2-N 3.34Å; N756-E758 PolarHBondContact O-N 2.86Å; N756-E758 VanDerWaalsContact O-N 3.17Å
757	K	91.9	Very high	88.6	Confident	56 Å²	56	62 Å²	62	24%	0.243	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	-10.1	-171.3	-35.3	-53	136	-146.6	0	116.6	L556 D558 F754 N755	L556-K757 VanDerWaalsContact O-CE 3.22Å; L556-K757 WeakPolarHBondContact O-CE 3.11Å; L556-K757 PolarHBondContact O-NZ 2.97Å; D558-K757 WeakPolarHBondContact OD1-CA 3.49Å; D558-K757 WeakPolarHBondContact OD1-CD 3.29Å; D558-K757 PolarHBondContact OD1-N 3.22Å; D558-K757 IonicContact OD1-NZ 3.41Å; D558-K757 PolarHBondContact OD1-NZ 2.94Å; D558-K757 IonicContact OD2-NZ 2.88Å; D558-K757 PolarHBondContact OD2-NZ 3.37Å; F754-K757 WeakPolarHBondContact CD1-O 3.46Å; N755-K757 VanDerWaalsContact C-N 3.29Å; N755-K757 PolarHBondContact O-N 3.06Å
758	E	90.7	Very high	88.3	Confident	129 Å²	129	61.5 Å²	61.5	60%	0.603	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	141	176.1	-75.3	-63.4	157.2	0	0	111.4	F754 N755 N756	F754-E758 CarbonylContact C-O 3.54Å; F754-E758 VanDerWaalsContact CA-O 3.24Å; F754-E758 WeakPolarHBondContact CA-O 3.28Å; N755-E758 PolarHBondContact N-O 3.49Å; N755-E758 PolarHBondContact O-N 2.94Å; N755-E758 VanDerWaalsContact O-N 3.08Å; N756-E758 PolarHBondContact O-N 2.86Å; N756-E758 VanDerWaalsContact O-N 3.17Å
759	P	91	Very high	88.2	Confident	51 Å²	51	61.2 Å²	61.2	33%	0.331	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.7	179.7	-21.4	32.7	0	0	0	113	T753 F754 R761	T753-P759 WeakPolarHBondContact O-CA 3.44Å; F754-P759 HydrophobicContact CD1-CB 4.49Å; F754-P759 HydrophobicContact CD1-CG 4.21Å; F754-P759 HydrophobicContact CE1-CG 4.06Å; P759-R761 WeakPolarHBondContact O-CG 3.39Å; P759-R761 PolarHBondContact O-N 2.95Å; P759-R761 VanDerWaalsContact O-N 3.15Å
760	L	89.8	Confident	88	Confident	7 Å²	7	63.5 Å²	63.5	4%	0.037	30%	0.296	C	S	.	.			trans	-62.6	115.7	173.3	-90.2	74.6	0	0	0	110.6	T753 N755 D765 L812	T753-L760 PolarHBondContact O-N 2.89Å; N755-L760 HydrophobicContact CB-CD1 3.83Å; L760-D765 HydrophobicContact CD2-CB 3.75Å; L760-D765 HydrophobicContact CG-CB 3.87Å; L760-L812 HydrophobicContact CB-CD2 4.13Å; L760-L812 HydrophobicContact CD2-CD2 4.24Å
761	R	79.2	Confident	87.9	Confident	187 Å²	187	63.7 Å²	63.7	71%	0.706	30%	0.298	S	S	*	.			trans	-128.9	0.7	-177.3	-67.8	178.1	-161.6	-167.3	9.3	114.1	P759	P759-R761 WeakPolarHBondContact O-CG 3.39Å; P759-R761 PolarHBondContact O-N 2.95Å; P759-R761 VanDerWaalsContact O-N 3.15Å
762	R	70.8	Confident	87.8	Confident	156 Å²	156	63.9 Å²	63.9	59%	0.589	30%	0.299	S	S	*	.	S	Bend	trans	-134.2	148.5	-175.5	-59.6	-172.9	-177.1	-174.7	0.4	111.2	E764 D765	R762-E764 HydrophobicContact CB-CB 4.1Å; R762-E764 HydrophobicContact CB-CG 4.27Å; R762-E764 WeakPolarHBondContact CD-OE2 3.27Å; R762-E764 IonicContact CZ-OE2 3.59Å; R762-E764 IonicContact NE-OE2 3.69Å; R762-E764 IonicContact NH1-OE1 3.66Å; R762-E764 IonicContact NH1-OE2 2.72Å; R762-E764 PolarHBondContact NH1-OE2 2.88Å; R762-E764 PolarHBondContact O-N 3.15Å; R762-D765 PolarHBondContact O-N 3.23Å
763	E	68.1	Low	87.5	Confident	144 Å²	144	67.8 Å²	67.8	67%	0.673	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.1	171.7	-63.6	175.8	-179.7	0	0	112.3	D765 S766	E763-D765 PolarHBondContact O-N 3.4Å; E763-S766 WeakPolarHBondContact O-CB 3.49Å; E763-S766 PolarHBondContact O-N 3.31Å; E763-S766 PolarHBondContact O-OG 2.79Å
764	E	70.9	Confident	87.1	Confident	135 Å²	135	70.5 Å²	70.5	63%	0.631	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-55.5	-28.5	173.5	-63.2	177.3	158.5	0	0	113	R762 W767	R762-E764 HydrophobicContact CB-CB 4.1Å; R762-E764 HydrophobicContact CB-CG 4.27Å; R762-E764 WeakPolarHBondContact CD-OE2 3.27Å; R762-E764 IonicContact CZ-OE2 3.59Å; R762-E764 IonicContact NE-OE2 3.69Å; R762-E764 IonicContact NH1-OE1 3.66Å; R762-E764 IonicContact NH1-OE2 2.72Å; R762-E764 PolarHBondContact NH1-OE2 2.88Å; R762-E764 PolarHBondContact O-N 3.15Å; E764-W767 VanDerWaalsContact O-CD1 3.32Å
765	D	78.6	Confident	86.9	Confident	30 Å²	30	71.5 Å²	71.5	16%	0.16	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-84.8	-7.6	177.2	-71.3	-60.2	0	0	0	114	N755 L760 R762 E763 W767 L768	N755-D765 PolarHBondContact ND2-OD1 2.86Å; L760-D765 HydrophobicContact CD2-CB 3.75Å; L760-D765 HydrophobicContact CG-CB 3.87Å; R762-D765 PolarHBondContact O-N 3.23Å; E763-D765 PolarHBondContact O-N 3.4Å; D765-W767 PolarHBondContact O-N 3.37Å; D765-L768 HydrophobicContact CB-CD1 4.45Å; D765-L768 WeakPolarHBondContact O-CB 3.34Å; D765-L768 PolarHBondContact O-N 2.81Å
766	S	82.9	Confident	86.9	Confident	26 Å²	26	72.8 Å²	72.8	18%	0.182	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.1	-172.1	63.5	0	0	0	0	114.9	E763 L768 H769 S770 A805 Q806	E763-S766 WeakPolarHBondContact O-CB 3.49Å; E763-S766 PolarHBondContact O-N 3.31Å; E763-S766 PolarHBondContact O-OG 2.79Å; S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 3.17Å; S766-H769 PolarHBondContact O-N 2.74Å; S766-S770 PolarHBondContact O-N 3.09Å; S766-S770 PolarHBondContact O-OG 3.03Å; S766-A805 WeakPolarHBondContact CB-O 3.27Å; S766-Q806 VanDerWaalsContact CB-NE2 3.3Å; S766-Q806 PolarHBondContact OG-NE2 3.17Å
767	W	90.3	Very high	87	Confident	132 Å²	132	66.9 Å²	66.9	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-40.3	171.1	71.6	-87	0	0	0	111.5	L673 P725 E764 D765 H769 S770	L673-W767 HydrophobicContact CD1-CH2 4.49Å; L673-W767 HydrophobicContact CD2-CH2 4.28Å; L673-W767 HydrophobicContact CD2-CZ3 4.12Å; P725-W767 HydrophobicContact CG-CE3 4.04Å; P725-W767 HydrophobicContact CG-CZ3 4.35Å; P725-W767 WeakPolarHBondContact CG-O 3.44Å; E764-W767 VanDerWaalsContact O-CD1 3.32Å; D765-W767 PolarHBondContact O-N 3.37Å; W767-H769 PolarHBondContact O-N 3.22Å; W767-H769 VanDerWaalsContact O-N 3.07Å; W767-S770 PolarHBondContact O-N 3.17Å; W767-S770 VanDerWaalsContact O-N 3.1Å
768	L	92.3	Very high	87.1	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-55.5	-29.5	-179.9	-74.8	169.3	0	0	0	113.1	P672 L673 D765 S766	P672-L768 VanDerWaalsContact CB-O 3.23Å; P672-L768 WeakPolarHBondContact CB-O 3.22Å; L673-L768 HydrophobicContact CD1-CD2 4.08Å; L673-L768 HydrophobicContact CD2-CD2 4.37Å; L673-L768 HydrophobicContact CG-CD2 4.27Å; D765-L768 HydrophobicContact CB-CD1 4.45Å; D765-L768 WeakPolarHBondContact O-CB 3.34Å; D765-L768 PolarHBondContact O-N 2.81Å; S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 3.17Å
769	H	95.6	Very high	86.9	Confident	3 Å²	3	67.1 Å²	67.1	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-106.7	-5.6	-176.6	-58.6	167	0	0	0	113.4	P728 L752 S766 W767 A805 W815	P728-H769 WeakPolarHBondContact CD-O 3.49Å; P728-H769 HydrophobicContact CG-CB 3.97Å; L752-H769 PolarHBondContact N-NE2 3.11Å; L752-H769 VanDerWaalsContact N-NE2 3.14Å; L752-H769 PolarHBondContact O-CE1 3.43Å; L752-H769 VanDerWaalsContact O-CE1 3.32Å; L752-H769 PolarHBondContact O-NE2 2.75Å; S766-H769 PolarHBondContact O-N 2.74Å; W767-H769 PolarHBondContact O-N 3.22Å; W767-H769 VanDerWaalsContact O-N 3.07Å; H769-A805 HydrophobicContact CB-CB 3.92Å; H769-W815 HydrophobicContact CB-CH2 4.49Å; H769-W815 HydrophobicContact CB-CZ3 4.4Å; H769-W815 AromaticContact ND1-CZ3 3.93Å
770	S	93.3	Very high	86.7	Confident	48 Å²	48	71 Å²	71	34%	0.336	36%	0.358	S	S	.	.	H	α-helix	trans	-75.6	-24.3	-173.9	-71.4	0	0	0	0	114	R727 S766 W767	R727-S770 PolarHBondContact NE-O 2.03Å; R727-S770 PolarHBondContact NH2-O 3.39Å; S766-S770 PolarHBondContact O-N 3.09Å; S766-S770 PolarHBondContact O-OG 3.03Å; W767-S770 PolarHBondContact O-N 3.17Å; W767-S770 VanDerWaalsContact O-N 3.1Å
771	G	95.1	Very high	86.4	Confident	7 Å²	7	73.6 Å²	73.6	7%	0.072	38%	0.377	C	S	.	.			trans	91.1	179.3	-165.9	0	0	0	0	0	112.2	P725	P725-G771 CarbonylContact O-C 3.15Å; P725-G771 WeakPolarHBondContact O-CA 3.46Å
772	P	95	Very high	86.8	Confident	4 Å²	4	65.8 Å²	65.8	3%	0.026	35%	0.348	C	S	.	.	S	Bend	trans	-72.7	156.5	-176	32.2	-37.8	0	0	0	111.8	Q723 P725 G774 N775 Y777	Q723-P772 HydrophobicContact CB-CB 4Å; P725-P772 VanDerWaalsContact O-CD 3.26Å; P725-P772 WeakPolarHBondContact O-CD 3.39Å; P725-P772 VanDerWaalsContact O-N 3.12Å; P772-G774 PolarHBondContact O-N 2.99Å; P772-N775 PolarHBondContact O-N 3.13Å; P772-Y777 HydrophobicContact CG-CD1 3.62Å; P772-Y777 HydrophobicContact CG-CD2 4.26Å; P772-Y777 HydrophobicContact CG-CE1 3.52Å; P772-Y777 HydrophobicContact CG-CE2 4.2Å; P772-Y777 HydrophobicContact CG-CG 3.99Å
773	P	90.4	Very high	87.3	Confident	95 Å²	95	64.8 Å²	64.8	62%	0.617	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-49.2	134.8	174.9	-28.1	36.1	0	0	0	112.8	N775 L776	P773-N775 PolarHBondContact O-N 3.37Å; P773-L776 PolarHBondContact O-N 3.34Å
774	G	86.7	Confident	88.2	Confident	65 Å²	65	66.2 Å²	66.2	67%	0.67	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	66	-0.9	-178.8	0	0	0	0	0	116.1	P772 L776	P772-G774 PolarHBondContact O-N 2.99Å; G774-L776 VanDerWaalsContact C-N 3.26Å
775	N	89	Confident	89.1	Confident	49 Å²	49	61.1 Å²	61.1	26%	0.262	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	66.5	21.3	-166.6	-43.1	-87.7	0	0	0	114.2	V700 R727 P772 P773 M798	V700-N775 HydrophobicContact CG2-CB 4.36Å; R727-N775 PolarHBondContact NH1-OD1 3.47Å; R727-N775 PolarHBondContact NH2-OD1 3.1Å; P772-N775 PolarHBondContact O-N 3.13Å; P773-N775 PolarHBondContact O-N 3.37Å; N775-M798 WeakPolarHBondContact OD1-CE 3.42Å
776	L	91.4	Very high	89.5	Confident	74 Å²	74	61.2 Å²	61.2	39%	0.387	34%	0.337	S	S	.	.			trans	-94.5	109.1	178.5	-65.4	175.3	0	0	0	109.5	Q723 P773 G774	Q723-L776 PolarHBondContact OE1-O 2.87Å; P773-L776 PolarHBondContact O-N 3.34Å; G774-L776 VanDerWaalsContact C-N 3.26Å
777	Y	95	Very high	89.7	Confident	3 Å²	3	64.4 Å²	64.4	1%	0.012	36%	0.359	C	S	.	.	S	Bend	trans	-82.5	-18.2	172.6	-69.1	-78.8	0	0	0	112.7	D696 V700 A702 L722 Q723 L726 R727 W731 P772	D696-Y777 HydrophobicContact CB-CE2 3.87Å; D696-Y777 WeakPolarHBondContact OD2-CE2 3.18Å; D696-Y777 PolarHBondContact OD2-OH 3.39Å; V700-Y777 HydrophobicContact CB-CE2 4.06Å; V700-Y777 HydrophobicContact CG1-CD2 3.89Å; V700-Y777 HydrophobicContact CG1-CE2 3.92Å; A702-Y777 HydrophobicContact CB-CD1 4.36Å; A702-Y777 HydrophobicContact CB-CD2 3.44Å; A702-Y777 VanDerWaalsContact CB-CD2 3.44Å; A702-Y777 HydrophobicContact CB-CE2 4.06Å; A702-Y777 HydrophobicContact CB-CG 3.61Å; L722-Y777 CarbonylContact C-O 3.56Å; L722-Y777 WeakPolarHBondContact CA-O 3.37Å; L722-Y777 HydrophobicContact CB-CD1 4.43Å; Q723-Y777 PolarHBondContact N-O 2.87Å; L726-Y777 HydrophobicContact CD2-CD1 4.09Å; L726-Y777 HydrophobicContact CD2-CE1 3.95Å; R727-Y777 WeakPolarHBondContact CB-OH 3.25Å; R727-Y777 PolarHBondContact N-OH 3.33Å; W731-Y777 AromaticContact CH2-CD1 3.91Å; W731-Y777 HydrophobicContact CH2-CD1 3.91Å; W731-Y777 AromaticContact CH2-CE1 3.46Å; W731-Y777 HydrophobicContact CH2-CE1 3.46Å; W731-Y777 VanDerWaalsContact CH2-CE1 3.46Å; W731-Y777 HydrophobicContact CH2-CE2 4.15Å; W731-Y777 HydrophobicContact CH2-CG 4.44Å; W731-Y777 AromaticContact CH2-CZ 3.58Å; W731-Y777 AromaticContact CZ2-CE1 3.67Å; W731-Y777 HydrophobicContact CZ2-CE1 3.67Å; W731-Y777 AromaticContact CZ2-CZ 3.68Å; P772-Y777 HydrophobicContact CG-CD1 3.62Å; P772-Y777 HydrophobicContact CG-CD2 4.26Å; P772-Y777 HydrophobicContact CG-CE1 3.52Å; P772-Y777 HydrophobicContact CG-CE2 4.2Å; P772-Y777 HydrophobicContact CG-CG 3.99Å
778	L	93.1	Very high	89.6	Confident	36 Å²	36	61.5 Å²	61.5	19%	0.188	36%	0.356	C	S	.	.	S	Bend	trans	-145.8	156.6	176.7	-69.2	175	0	0	0	108.1	A703 P721 Q780 F782	A703-L778 HydrophobicContact CB-CD1 3.71Å; P721-L778 HydrophobicContact CG-CD2 3.84Å; P721-L778 VanDerWaalsContact O-CD2 3.26Å; P721-L778 WeakPolarHBondContact O-CD2 3.43Å; L778-Q780 PolarHBondContact O-N 2.69Å; L778-Q780 VanDerWaalsContact O-N 3.14Å; L778-F782 HydrophobicContact CB-CE2 4.4Å; L778-F782 HydrophobicContact CD1-CE2 3.83Å; L778-F782 HydrophobicContact CD1-CZ 4.46Å
779	D	87.2	Confident	89.6	Confident	155 Å²	155	62 Å²	62	83%	0.829	36%	0.358	S	S	*	.	S	Bend	trans	-61.3	-23.5	178.4	-51.6	-21.9	0	0	0	112.4	Q723	Q723-D779 PolarHBondContact NE2-OD1 2.95Å
780	Q	85.3	Confident	89.3	Confident	131 Å²	131	70.7 Å²	70.7	61%	0.612	40%	0.396	S	S	*	.	S	Bend	trans	-90.6	121.6	172	-176.5	174.6	7.3	0	0	111	L778 F782	L778-Q780 PolarHBondContact O-N 2.69Å; L778-Q780 VanDerWaalsContact O-N 3.14Å; Q780-F782 HydrophobicContact CB-CE2 4.12Å; Q780-F782 HydrophobicContact CB-CZ 4.15Å; Q780-F782 HydrophobicContact CG-CE1 4.27Å; Q780-F782 HydrophobicContact CG-CE2 4.2Å; Q780-F782 HydrophobicContact CG-CZ 3.93Å; Q780-F782 VanDerWaalsContact O-CD2 3.22Å; Q780-F782 WeakPolarHBondContact O-CD2 3.37Å; Q780-F782 WeakPolarHBondContact O-CE2 3.44Å
781	S	84.2	Confident	89.2	Confident	62 Å²	62	69.6 Å²	69.6	43%	0.434	39%	0.386	S	S	.	.			trans	-76.3	132.4	170.7	178.1	0	0	0	0	111.8	Q783	S781-Q783 WeakPolarHBondContact OG-CG 3.37Å
782	F	86.9	Confident	89.1	Confident	24 Å²	24	73 Å²	73	11%	0.105	41%	0.407	C	S	.	.			trans	-106.4	12.5	177.9	-65.5	-81.9	0	0	0	113.9	V701 L778 Q780 Q784 L785	V701-F782 HydrophobicContact CB-CB 3.79Å; V701-F782 HydrophobicContact CG1-CB 3.54Å; V701-F782 HydrophobicContact CG1-CG 4.24Å; L778-F782 HydrophobicContact CB-CE2 4.4Å; L778-F782 HydrophobicContact CD1-CE2 3.83Å; L778-F782 HydrophobicContact CD1-CZ 4.46Å; Q780-F782 HydrophobicContact CB-CE2 4.12Å; Q780-F782 HydrophobicContact CB-CZ 4.15Å; Q780-F782 HydrophobicContact CG-CE1 4.27Å; Q780-F782 HydrophobicContact CG-CE2 4.2Å; Q780-F782 HydrophobicContact CG-CZ 3.93Å; Q780-F782 VanDerWaalsContact O-CD2 3.22Å; Q780-F782 WeakPolarHBondContact O-CD2 3.37Å; Q780-F782 WeakPolarHBondContact O-CE2 3.44Å; F782-Q784 PolarHBondContact O-N 2.8Å; F782-L785 HydrophobicContact CB-CD1 4.27Å; F782-L785 HydrophobicContact CD1-CD1 3.88Å; F782-L785 WeakPolarHBondContact O-CB 3.29Å; F782-L785 PolarHBondContact O-N 2.8Å
783	Q	82.2	Confident	88.9	Confident	134 Å²	134	77.9 Å²	77.9	63%	0.626	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.9	-175.7	-73.5	173.3	-13.3	0	0	114.4	S781 L785 S786	S781-Q783 WeakPolarHBondContact OG-CG 3.37Å; Q783-L785 PolarHBondContact O-N 2.98Å; Q783-S786 WeakPolarHBondContact O-CB 3.45Å; Q783-S786 PolarHBondContact O-N 3.3Å; Q783-S786 PolarHBondContact O-OG 3.39Å
784	Q	86.5	Confident	89	Confident	175 Å²	175	76.7 Å²	76.7	82%	0.818	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.8	177.1	-64.3	-178.8	-0.6	0	0	112.8	F782 S786 S787	F782-Q784 PolarHBondContact O-N 2.8Å; Q784-S786 VanDerWaalsContact C-N 3.29Å; Q784-S786 PolarHBondContact O-N 3.22Å; Q784-S787 PolarHBondContact O-OG 2.9Å
785	L	89.3	Confident	89.2	Confident	28 Å²	28	78 Å²	78	15%	0.147	41%	0.414	C	S	.	.	H	α-helix	trans	-70.7	-21.4	179.1	-60.5	-175.7	0	0	0	113	V701 W739 F782 Q783 S787 V788 L789	V701-L785 HydrophobicContact CG1-CD1 4.47Å; W739-L785 HydrophobicContact CH2-CD1 4.4Å; W739-L785 HydrophobicContact CH2-CD2 3.72Å; W739-L785 HydrophobicContact CZ3-CD1 4.36Å; W739-L785 HydrophobicContact CZ3-CD2 3.91Å; F782-L785 HydrophobicContact CB-CD1 4.27Å; F782-L785 HydrophobicContact CD1-CD1 3.88Å; F782-L785 WeakPolarHBondContact O-CB 3.29Å; F782-L785 PolarHBondContact O-N 2.8Å; Q783-L785 PolarHBondContact O-N 2.98Å; L785-S787 PolarHBondContact O-N 3.1Å; L785-S787 VanDerWaalsContact O-N 3.16Å; L785-V788 PolarHBondContact O-N 3.45Å; L785-L789 HydrophobicContact CB-CD1 3.82Å; L785-L789 HydrophobicContact CB-CG 4.31Å; L785-L789 VanDerWaalsContact O-CB 3.32Å; L785-L789 WeakPolarHBondContact O-CB 3.27Å; L785-L789 WeakPolarHBondContact O-CG 3.44Å; L785-L789 PolarHBondContact O-N 2.98Å
786	S	88.1	Confident	89.5	Confident	32 Å²	32	79.6 Å²	79.6	22%	0.224	43%	0.427	C	S	.	.	H	α-helix	trans	-58.3	-32.6	-178.1	-59.2	0	0	0	0	113	Q783 Q784 K790 L791	Q783-S786 WeakPolarHBondContact O-CB 3.45Å; Q783-S786 PolarHBondContact O-N 3.3Å; Q783-S786 PolarHBondContact O-OG 3.39Å; Q784-S786 VanDerWaalsContact C-N 3.29Å; Q784-S786 PolarHBondContact O-N 3.22Å; S786-K790 PolarHBondContact O-N 2.69Å; S786-L791 PolarHBondContact O-N 3.33Å
787	S	86.7	Confident	89.6	Confident	93 Å²	93	77.3 Å²	77.3	65%	0.65	42%	0.419	S	S	*	.	H	α-helix	trans	-71.6	-46.2	173.9	65.6	0	0	0	0	112.6	Q784 L785 L789 K790	Q784-S787 PolarHBondContact O-OG 2.9Å; L785-S787 PolarHBondContact O-N 3.1Å; L785-S787 VanDerWaalsContact O-N 3.16Å; S787-L789 VanDerWaalsContact C-N 3.32Å; S787-L789 PolarHBondContact O-N 3.27Å; S787-K790 PolarHBondContact O-N 3.09Å; S787-K790 VanDerWaalsContact O-N 3.15Å
788	V	89.3	Confident	89.6	Confident	70 Å²	70	77.5 Å²	77.5	42%	0.424	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-42.2	177.9	-175.8	0	0	0	0	111.1	W739 L785 K790	W739-V788 HydrophobicContact CB-CG1 4.15Å; W739-V788 HydrophobicContact CD2-CG1 3.9Å; W739-V788 HydrophobicContact CE3-CG1 3.91Å; W739-V788 HydrophobicContact CG-CG1 4Å; L785-V788 PolarHBondContact O-N 3.45Å; V788-K790 VanDerWaalsContact C-N 3.26Å; V788-K790 PolarHBondContact O-N 2.77Å
789	L	90.4	Very high	89.7	Confident	14 Å²	14	80.3 Å²	80.3	7%	0.073	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.7	-179.9	-61.8	169	0	0	0	113.6	V693 V701 R734 L736 W739 L785 S787 L791	V693-L789 HydrophobicContact CG1-CD1 3.81Å; V693-L789 HydrophobicContact CG2-CD2 4.41Å; V701-L789 HydrophobicContact CG2-CD1 3.87Å; R734-L789 PolarHBondContact NH1-O 3.04Å; L736-L789 HydrophobicContact CD1-CD2 3.53Å; W739-L789 HydrophobicContact CE3-CD2 4.46Å; L785-L789 HydrophobicContact CB-CD1 3.82Å; L785-L789 HydrophobicContact CB-CG 4.31Å; L785-L789 VanDerWaalsContact O-CB 3.32Å; L785-L789 WeakPolarHBondContact O-CB 3.27Å; L785-L789 WeakPolarHBondContact O-CG 3.44Å; L785-L789 PolarHBondContact O-N 2.98Å; S787-L789 VanDerWaalsContact C-N 3.32Å; S787-L789 PolarHBondContact O-N 3.27Å; L789-L791 VanDerWaalsContact C-N 3.32Å; L789-L791 HydrophobicContact CB-CD2 3.93Å; L789-L791 HydrophobicContact CB-CG 3.96Å; L789-L791 PolarHBondContact O-N 3.1Å
790	K	90.9	Very high	90.1	Very high	185 Å²	185	75.1 Å²	75.1	80%	0.804	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	48.1	-178.1	-56.5	-178.1	-178.8	-177	0	112.7	S786 S787 V788	S786-K790 PolarHBondContact O-N 2.69Å; S787-K790 PolarHBondContact O-N 3.09Å; S787-K790 VanDerWaalsContact O-N 3.15Å; V788-K790 VanDerWaalsContact C-N 3.26Å; V788-K790 PolarHBondContact O-N 2.77Å
791	L	91.4	Very high	90.5	Very high	25 Å²	25	69.8 Å²	69.8	13%	0.131	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-72.7	150.8	178.1	-56.4	-171.9	0	0	0	111.2	I695 V701 S786 L789	I695-L791 HydrophobicContact CD1-CD1 4.43Å; I695-L791 HydrophobicContact CD1-CD2 3.8Å; I695-L791 HydrophobicContact CG2-CD1 4.19Å; V701-L791 HydrophobicContact CG2-CD1 3.74Å; S786-L791 PolarHBondContact O-N 3.33Å; L789-L791 VanDerWaalsContact C-N 3.32Å; L789-L791 HydrophobicContact CB-CD2 3.93Å; L789-L791 HydrophobicContact CB-CG 3.96Å; L789-L791 PolarHBondContact O-N 3.1Å
792	P	92.3	Very high	91	Very high	79 Å²	79	73.5 Å²	73.5	51%	0.513	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-58.5	159.7	169.8	-22.3	33.7	0	0	0	112.6	Q794	P792-Q794 PolarHBondContact O-N 3.02Å
793	P	91.1	Very high	91.3	Very high	107 Å²	107	80.6 Å²	80.6	70%	0.695	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-53.5	131.6	172.2	-25.9	35.3	0	0	0	112
794	Q	91.4	Very high	91.8	Very high	69 Å²	69	74.9 Å²	74.9	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-72.1	-38.9	-171.1	-161.4	-169.9	-5.6	0	0	113.2	A698 Q699 P792 A797 M798	A698-Q794 WeakPolarHBondContact O-CG 3.44Å; Q699-Q794 HydrophobicContact CB-CG 4.45Å; P792-Q794 PolarHBondContact O-N 3.02Å; Q794-A797 PolarHBondContact O-N 2.77Å; Q794-A797 VanDerWaalsContact O-N 3.13Å; Q794-M798 PolarHBondContact O-N 2.83Å
795	E	92.1	Very high	92.1	Very high	92 Å²	92	66.6 Å²	66.6	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-43.2	-166.2	-173.6	58.5	-157.5	0	0	114.4	A797 M798 Q799 R802	E795-A797 VanDerWaalsContact C-N 3.3Å; E795-A797 PolarHBondContact O-N 3.35Å; E795-M798 PolarHBondContact O-N 3.17Å; E795-Q799 HydrophobicContact CG-CG 4.4Å; E795-Q799 WeakPolarHBondContact O-CB 3.32Å; E795-Q799 WeakPolarHBondContact O-CG 3.31Å; E795-Q799 PolarHBondContact O-N 2.85Å; E795-Q799 WeakPolarHBondContact OE1-CG 3.46Å; E795-Q799 PolarHBondContact OE1-NE2 3.44Å; E795-R802 IonicContact OE1-NH1 3.79Å
796	P	95.4	Very high	92.3	Very high	84 Å²	84	69.4 Å²	69.4	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-36.8	175.8	-23.3	34.7	0	0	0	113.3	A800	P796-A800 PolarHBondContact O-N 3.37Å
797	A	93.8	Very high	92.6	Very high	26 Å²	26	70.4 Å²	70.4	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-73	-38.6	177.9	0	0	0	0	0	111.4	Q699 Q794 E795 A800 A801	Q699-A797 HydrophobicContact CG-CB 4.29Å; Q794-A797 PolarHBondContact O-N 2.77Å; Q794-A797 VanDerWaalsContact O-N 3.13Å; E795-A797 VanDerWaalsContact C-N 3.3Å; E795-A797 PolarHBondContact O-N 3.35Å; A797-A800 PolarHBondContact O-N 2.96Å; A797-A801 PolarHBondContact O-N 3.26Å
798	M	94.7	Very high	92.9	Very high	7 Å²	7	68.4 Å²	68.4	3%	0.034	36%	0.356	C	S	.	.	H	α-helix	trans	-62.2	-42.6	172.5	-172.1	59.6	65.6	0	0	112	A698 V700 N775 Q794 E795 A800 A801 R802	A698-M798 HydrophobicContact CB-CE 3.87Å; A698-M798 HydrophobicContact CB-SD 4.38Å; V700-M798 HydrophobicContact CG2-CE 4.11Å; N775-M798 WeakPolarHBondContact OD1-CE 3.42Å; Q794-M798 PolarHBondContact O-N 2.83Å; E795-M798 PolarHBondContact O-N 3.17Å; M798-A800 VanDerWaalsContact C-N 3.35Å; M798-A801 PolarHBondContact O-N 3.11Å; M798-R802 WeakPolarHBondContact O-CG 3.3Å; M798-R802 PolarHBondContact O-N 3.44Å
799	Q	95	Very high	93	Very high	94 Å²	94	66.8 Å²	66.8	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-69.9	-27.8	175.7	-69.7	178.5	9.5	0	0	113.4	E795 R803	E795-Q799 HydrophobicContact CG-CG 4.4Å; E795-Q799 WeakPolarHBondContact O-CB 3.32Å; E795-Q799 WeakPolarHBondContact O-CG 3.31Å; E795-Q799 PolarHBondContact O-N 2.85Å; E795-Q799 WeakPolarHBondContact OE1-CG 3.46Å; E795-Q799 PolarHBondContact OE1-NE2 3.44Å; Q799-R803 WeakPolarHBondContact O-CG 3.4Å; Q799-R803 PolarHBondContact O-NE 2.88Å
800	A	94.7	Very high	93.2	Very high	47 Å²	47	76.5 Å²	76.5	39%	0.388	39%	0.389	S	S	.	.	H	α-helix	trans	-69.1	-48.7	168.7	0	0	0	0	0	111	P796 A797 M798 R802 R803 A804	P796-A800 PolarHBondContact O-N 3.37Å; A797-A800 PolarHBondContact O-N 2.96Å; M798-A800 VanDerWaalsContact C-N 3.35Å; A800-R802 PolarHBondContact O-N 3.23Å; A800-R803 PolarHBondContact O-N 2.87Å; A800-A804 PolarHBondContact O-N 2.81Å
801	A	94.6	Very high	93.4	Very high	19 Å²	19	71.3 Å²	71.3	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-45.4	179.2	0	0	0	0	0	113	A698 A797 M798 R803 A804 A805	A698-A801 HydrophobicContact CB-CB 4.33Å; A797-A801 PolarHBondContact O-N 3.26Å; M798-A801 PolarHBondContact O-N 3.11Å; A801-R803 VanDerWaalsContact C-N 3.29Å; A801-R803 PolarHBondContact O-N 2.62Å; A801-A804 PolarHBondContact O-N 3.2Å; A801-A804 VanDerWaalsContact O-N 3.17Å; A801-A805 WeakPolarHBondContact O-CB 3.42Å; A801-A805 PolarHBondContact O-N 2.84Å
802	R	93.3	Very high	93.6	Very high	140 Å²	140	70.2 Å²	70.2	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-36.8	176.7	-74.5	176.4	-177.5	150.5	2.5	113.1	E795 M798 A800	E795-R802 IonicContact OE1-NH1 3.79Å; M798-R802 WeakPolarHBondContact O-CG 3.3Å; M798-R802 PolarHBondContact O-N 3.44Å; A800-R802 PolarHBondContact O-N 3.23Å
803	R	93.5	Very high	93.8	Very high	173 Å²	173	68.5 Å²	68.5	65%	0.653	35%	0.354	S	S	*	.	H	α-helix	trans	-73.9	-38.8	175.6	-74	179.5	-70.3	165.7	-1.5	112	Q799 A800 A801 A805 Q806	Q799-R803 WeakPolarHBondContact O-CG 3.4Å; Q799-R803 PolarHBondContact O-NE 2.88Å; A800-R803 PolarHBondContact O-N 2.87Å; A801-R803 VanDerWaalsContact C-N 3.29Å; A801-R803 PolarHBondContact O-N 2.62Å; R803-A805 VanDerWaalsContact C-N 3.34Å; R803-Q806 PolarHBondContact O-N 3.35Å
804	A	94.2	Very high	94	Very high	13 Å²	13	66.2 Å²	66.2	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-35.7	177.9	0	0	0	0	0	112.7	A800 A801 Q806 L807 W815	A800-A804 PolarHBondContact O-N 2.81Å; A801-A804 PolarHBondContact O-N 3.2Å; A801-A804 VanDerWaalsContact O-N 3.17Å; A804-Q806 PolarHBondContact O-N 3.48Å; A804-Q806 VanDerWaalsContact O-N 3.17Å; A804-L807 HydrophobicContact CB-CD1 4.47Å; A804-L807 WeakPolarHBondContact O-CB 3.23Å; A804-L807 VanDerWaalsContact O-CG 3.32Å; A804-L807 WeakPolarHBondContact O-CG 3.33Å; A804-L807 PolarHBondContact O-N 2.85Å; A804-L807 VanDerWaalsContact O-N 3.15Å; A804-W815 HydrophobicContact CB-CD2 3.94Å; A804-W815 HydrophobicContact CB-CE3 4.01Å; A804-W815 HydrophobicContact CB-CH2 3.69Å; A804-W815 HydrophobicContact CB-CZ2 3.59Å; A804-W815 HydrophobicContact CB-CZ3 3.9Å; A804-W815 VanDerWaalsContact O-CZ3 3.28Å; A804-W815 WeakPolarHBondContact O-CZ3 3.41Å
805	A	92.9	Very high	94.3	Very high	2 Å²	2	65.1 Å²	65.1	2%	0.017	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.5	179.3	0	0	0	0	0	115	S766 H769 A801 R803	S766-A805 WeakPolarHBondContact CB-O 3.27Å; H769-A805 HydrophobicContact CB-CB 3.92Å; A801-A805 WeakPolarHBondContact O-CB 3.42Å; A801-A805 PolarHBondContact O-N 2.84Å; R803-A805 VanDerWaalsContact C-N 3.34Å
806	Q	92.4	Very high	94.6	Very high	87 Å²	87	60.7 Å²	60.7	41%	0.407	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	9.1	177.8	-60.2	-59	-32.7	0	0	112.8	S766 R803 A804	S766-Q806 VanDerWaalsContact CB-NE2 3.3Å; S766-Q806 PolarHBondContact OG-NE2 3.17Å; R803-Q806 PolarHBondContact O-N 3.35Å; A804-Q806 PolarHBondContact O-N 3.48Å; A804-Q806 VanDerWaalsContact O-N 3.17Å
807	L	93.8	Very high	94.7	Very high	52 Å²	52	57.5 Å²	57.5	27%	0.272	30%	0.295	S	S	.	.			trans	-81.3	133.7	177.6	-58.9	177.9	0	0	0	110.7	A804 P811 L812 W815	A804-L807 HydrophobicContact CB-CD1 4.47Å; A804-L807 WeakPolarHBondContact O-CB 3.23Å; A804-L807 VanDerWaalsContact O-CG 3.32Å; A804-L807 WeakPolarHBondContact O-CG 3.33Å; A804-L807 PolarHBondContact O-N 2.85Å; A804-L807 VanDerWaalsContact O-N 3.15Å; L807-P811 HydrophobicContact CB-CB 4.44Å; L807-P811 HydrophobicContact CD2-CB 3.91Å; L807-L812 HydrophobicContact CB-CB 4.05Å; L807-L812 HydrophobicContact CB-CD1 4.48Å; L807-W815 HydrophobicContact CD1-CB 3.86Å; L807-W815 HydrophobicContact CD1-CD2 4.29Å; L807-W815 HydrophobicContact CD1-CE3 4.12Å; L807-W815 HydrophobicContact CD1-CG 4.19Å
808	V	92.8	Very high	94.8	Very high	52 Å²	52	60.3 Å²	60.3	32%	0.315	31%	0.313	S	S	.	.			trans	-132.6	159	171.6	-66.4	0	0	0	0	110.4	P811	V808-P811 WeakPolarHBondContact O-CD 3.44Å
809	G	92.8	Very high	94.9	Very high	35 Å²	35	61.2 Å²	61.2	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	57.4	-140.7	178.9	0	0	0	0	0	114.4	L812 D813	G809-L812 CarbonylContact O-C 3.51Å; G809-L812 WeakPolarHBondContact O-CA 3.09Å; G809-L812 VanDerWaalsContact O-CB 3.29Å; G809-L812 WeakPolarHBondContact O-CB 3.02Å; G809-L812 PolarHBondContact O-N 3.45Å; G809-D813 PolarHBondContact O-N 2.78Å
810	R	93.4	Very high	95	Very high	219 Å²	219	56.7 Å²	56.7	83%	0.826	30%	0.297	S	S	*	.	H	α-helix	trans	-54.9	-40.2	-174.4	-69.9	-178	178.5	-178.3	-1.4	115.1	L812 D813 A814	R810-L812 VanDerWaalsContact C-N 3.32Å; R810-L812 PolarHBondContact O-N 3Å; R810-D813 WeakPolarHBondContact CA-OD2 3.22Å; R810-D813 PolarHBondContact O-N 3.5Å; R810-A814 WeakPolarHBondContact O-CB 3.11Å; R810-A814 PolarHBondContact O-N 2.76Å
811	P	95.2	Very high	95.1	Very high	76 Å²	76	56.4 Å²	56.4	49%	0.494	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-38	170.2	-28.7	35	0	0	0	114.4	L807 V808 W815	L807-P811 HydrophobicContact CB-CB 4.44Å; L807-P811 HydrophobicContact CD2-CB 3.91Å; V808-P811 WeakPolarHBondContact O-CD 3.44Å; P811-W815 PolarHBondContact O-N 3.36Å; P811-W815 VanDerWaalsContact O-N 3.13Å
812	L	95.9	Very high	95.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-69.7	-46.8	174.9	176.5	60.2	0	0	0	111	P751 T753 L760 L807 G809 R810 A814 W815 V816	P751-L812 HydrophobicContact CB-CD1 4.3Å; T753-L812 HydrophobicContact CG2-CD2 4.41Å; T753-L812 HydrophobicContact CG2-CG 4.2Å; L760-L812 HydrophobicContact CB-CD2 4.13Å; L760-L812 HydrophobicContact CD2-CD2 4.24Å; L807-L812 HydrophobicContact CB-CB 4.05Å; L807-L812 HydrophobicContact CB-CD1 4.48Å; G809-L812 CarbonylContact O-C 3.51Å; G809-L812 WeakPolarHBondContact O-CA 3.09Å; G809-L812 VanDerWaalsContact O-CB 3.29Å; G809-L812 WeakPolarHBondContact O-CB 3.02Å; G809-L812 PolarHBondContact O-N 3.45Å; R810-L812 VanDerWaalsContact C-N 3.32Å; R810-L812 PolarHBondContact O-N 3Å; L812-A814 PolarHBondContact O-N 3.02Å; L812-W815 HydrophobicContact CD1-CE3 3.74Å; L812-W815 HydrophobicContact CD1-CZ3 4.17Å; L812-W815 PolarHBondContact O-N 3.27Å; L812-V816 HydrophobicContact CD1-CG2 4.08Å; L812-V816 HydrophobicContact CG-CG2 4.28Å; L812-V816 WeakPolarHBondContact O-CG2 3.47Å; L812-V816 PolarHBondContact O-N 3.13Å
813	D	95.9	Very high	95.3	Very high	42 Å²	42	51.7 Å²	51.7	23%	0.225	29%	0.287	C	S	.	.	H	α-helix	trans	-51.8	-45.1	173.4	-67.7	-53.9	0	0	0	111.5	R569 G809 R810 V816 D817	R569-D813 IonicContact CZ-OD1 3.97Å; R569-D813 VanDerWaalsContact CZ-OD1 3.25Å; R569-D813 IonicContact NE-OD1 3.61Å; R569-D813 IonicContact NH1-OD1 2.77Å; R569-D813 PolarHBondContact NH1-OD1 3.46Å; R569-D813 IonicContact NH2-OD1 3.02Å; G809-D813 PolarHBondContact O-N 2.78Å; R810-D813 WeakPolarHBondContact CA-OD2 3.22Å; R810-D813 PolarHBondContact O-N 3.5Å; D813-V816 PolarHBondContact O-N 3.06Å; D813-D817 WeakPolarHBondContact O-CB 3.29Å; D813-D817 PolarHBondContact O-N 3.29Å
814	A	96.7	Very high	95.4	Very high	59 Å²	59	44.1 Å²	44.1	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-33	179.3	0	0	0	0	0	113.4	R810 L812 S818	R810-A814 WeakPolarHBondContact O-CB 3.11Å; R810-A814 PolarHBondContact O-N 2.76Å; L812-A814 PolarHBondContact O-N 3.02Å; A814-S818 VanDerWaalsContact O-CB 3.22Å; A814-S818 WeakPolarHBondContact O-CB 3.44Å; A814-S818 PolarHBondContact O-N 3.48Å; A814-S818 VanDerWaalsContact O-N 3.1Å
815	W	97.4	Very high	95.5	Very high	46 Å²	46	46.4 Å²	46.4	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-71	-43.3	173	176.9	37.5	0	0	0	111.6	P728 P751 H769 A804 L807 P811 L812 S818 L819	P728-W815 HydrophobicContact CB-CH2 3.83Å; P728-W815 HydrophobicContact CB-CZ2 4.16Å; P728-W815 HydrophobicContact CG-CH2 4.19Å; P751-W815 HydrophobicContact CB-CE3 3.93Å; P751-W815 HydrophobicContact CB-CH2 3.76Å; P751-W815 HydrophobicContact CB-CZ2 4.4Å; P751-W815 HydrophobicContact CB-CZ3 3.49Å; P751-W815 VanDerWaalsContact CB-CZ3 3.49Å; P751-W815 HydrophobicContact CG-CD2 4.09Å; P751-W815 HydrophobicContact CG-CE3 3.91Å; P751-W815 HydrophobicContact CG-CH2 4.02Å; P751-W815 HydrophobicContact CG-CZ2 4.18Å; P751-W815 HydrophobicContact CG-CZ3 3.88Å; H769-W815 HydrophobicContact CB-CH2 4.49Å; H769-W815 HydrophobicContact CB-CZ3 4.4Å; H769-W815 AromaticContact ND1-CZ3 3.93Å; A804-W815 HydrophobicContact CB-CD2 3.94Å; A804-W815 HydrophobicContact CB-CE3 4.01Å; A804-W815 HydrophobicContact CB-CH2 3.69Å; A804-W815 HydrophobicContact CB-CZ2 3.59Å; A804-W815 HydrophobicContact CB-CZ3 3.9Å; A804-W815 VanDerWaalsContact O-CZ3 3.28Å; A804-W815 WeakPolarHBondContact O-CZ3 3.41Å; L807-W815 HydrophobicContact CD1-CB 3.86Å; L807-W815 HydrophobicContact CD1-CD2 4.29Å; L807-W815 HydrophobicContact CD1-CE3 4.12Å; L807-W815 HydrophobicContact CD1-CG 4.19Å; P811-W815 PolarHBondContact O-N 3.36Å; P811-W815 VanDerWaalsContact O-N 3.13Å; L812-W815 HydrophobicContact CD1-CE3 3.74Å; L812-W815 HydrophobicContact CD1-CZ3 4.17Å; L812-W815 PolarHBondContact O-N 3.27Å; W815-S818 PolarHBondContact O-N 2.9Å; W815-L819 HydrophobicContact CD2-CD1 4.43Å; W815-L819 HydrophobicContact CZ2-CD1 4.03Å; W815-L819 PolarHBondContact O-N 2.93Å
816	V	97.8	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-52.8	174.9	177.6	0	0	0	0	110	T562 P751 T753 L812 D813 S818 L819 V820	T562-V816 HydrophobicContact CG2-CG1 3.76Å; T562-V816 HydrophobicContact CG2-CG2 4.49Å; P751-V816 HydrophobicContact CB-CG2 4.45Å; P751-V816 HydrophobicContact CG-CG2 3.83Å; T753-V816 HydrophobicContact CG2-CB 4.48Å; T753-V816 HydrophobicContact CG2-CG2 3.71Å; L812-V816 HydrophobicContact CD1-CG2 4.08Å; L812-V816 HydrophobicContact CG-CG2 4.28Å; L812-V816 WeakPolarHBondContact O-CG2 3.47Å; L812-V816 PolarHBondContact O-N 3.13Å; D813-V816 PolarHBondContact O-N 3.06Å; V816-S818 VanDerWaalsContact C-N 3.3Å; V816-S818 PolarHBondContact O-N 2.88Å; V816-L819 PolarHBondContact O-N 2.85Å; V816-L819 VanDerWaalsContact O-N 3.13Å; V816-V820 HydrophobicContact CG1-CG2 4.22Å; V816-V820 WeakPolarHBondContact O-CB 3.36Å; V816-V820 WeakPolarHBondContact O-CG2 3.24Å; V816-V820 PolarHBondContact O-N 2.88Å
817	D	97.4	Very high	95	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-36.7	-179.2	-68.9	-3.9	0	0	0	112	S566 R569 L570 D813 G821	S566-D817 WeakPolarHBondContact CA-OD1 3.44Å; S566-D817 VanDerWaalsContact CB-OD1 3.29Å; S566-D817 WeakPolarHBondContact CB-OD1 3.29Å; S566-D817 PolarHBondContact OG-OD1 3.09Å; R569-D817 VanDerWaalsContact CB-OD2 3.28Å; R569-D817 WeakPolarHBondContact CB-OD2 3.26Å; R569-D817 IonicContact CZ-OD1 2.6Å; R569-D817 VanDerWaalsContact CZ-OD1 3.29Å; R569-D817 IonicContact CZ-OD2 3.25Å; R569-D817 IonicContact NE-OD1 3.25Å; R569-D817 PolarHBondContact NE-OD1 3.14Å; R569-D817 IonicContact NE-OD2 2.96Å; R569-D817 PolarHBondContact NE-OD2 3.43Å; R569-D817 IonicContact NH2-OD1 2.78Å; R569-D817 PolarHBondContact NH2-OD1 3.32Å; R569-D817 IonicContact NH2-OD2 2.68Å; L570-D817 HydrophobicContact CD2-CB 3.93Å; L570-D817 HydrophobicContact CG-CB 4.08Å; D813-D817 WeakPolarHBondContact O-CB 3.29Å; D813-D817 PolarHBondContact O-N 3.29Å; D817-G821 PolarHBondContact O-N 3.15Å
818	S	96.9	Very high	94.9	Very high	85 Å²	85	47.2 Å²	47.2	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-64.4	-42	174.4	-174.1	0	0	0	0	112.4	A814 W815 V816	A814-S818 VanDerWaalsContact O-CB 3.22Å; A814-S818 WeakPolarHBondContact O-CB 3.44Å; A814-S818 PolarHBondContact O-N 3.48Å; A814-S818 VanDerWaalsContact O-N 3.1Å; W815-S818 PolarHBondContact O-N 2.9Å; V816-S818 VanDerWaalsContact C-N 3.3Å; V816-S818 PolarHBondContact O-N 2.88Å
819	L	97.2	Very high	95	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-45.7	174.9	-75.5	175.5	0	0	0	112.1	L748 P751 W815 V816 G821 A822 F823	L748-L819 HydrophobicContact CD1-CB 3.88Å; L748-L819 HydrophobicContact CD1-CD1 4.13Å; L748-L819 HydrophobicContact CD1-CD2 4.38Å; L748-L819 HydrophobicContact CD1-CG 4.37Å; L748-L819 HydrophobicContact CD2-CB 4.43Å; P751-L819 HydrophobicContact CG-CD1 3.82Å; W815-L819 HydrophobicContact CD2-CD1 4.43Å; W815-L819 HydrophobicContact CZ2-CD1 4.03Å; W815-L819 PolarHBondContact O-N 2.93Å; V816-L819 PolarHBondContact O-N 2.85Å; V816-L819 VanDerWaalsContact O-N 3.13Å; L819-G821 PolarHBondContact O-N 3.08Å; L819-A822 WeakPolarHBondContact O-CB 3.49Å; L819-A822 PolarHBondContact O-N 3.07Å; L819-A822 VanDerWaalsContact O-N 3.1Å; L819-F823 WeakPolarHBondContact O-CD2 3.43Å
820	V	97	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-44.9	-179.8	171.3	0	0	0	0	110.6	F567 L570 L748 M750 V816 A822 F823 W824	F567-V820 HydrophobicContact CD1-CG1 3.62Å; F567-V820 HydrophobicContact CE1-CG1 3.6Å; L570-V820 HydrophobicContact CD1-CB 3.95Å; L570-V820 HydrophobicContact CD1-CG1 3.61Å; L748-V820 HydrophobicContact CD2-CG2 4.11Å; M750-V820 HydrophobicContact CE-CG2 3.8Å; M750-V820 HydrophobicContact SD-CG2 4.31Å; V816-V820 HydrophobicContact CG1-CG2 4.22Å; V816-V820 WeakPolarHBondContact O-CB 3.36Å; V816-V820 WeakPolarHBondContact O-CG2 3.24Å; V816-V820 PolarHBondContact O-N 2.88Å; V820-A822 PolarHBondContact O-N 2.98Å; V820-A822 VanDerWaalsContact O-N 3.08Å; V820-F823 PolarHBondContact O-N 3.15Å; V820-W824 HydrophobicContact CG1-CB 4.14Å; V820-W824 HydrophobicContact CG1-CG 4.22Å; V820-W824 WeakPolarHBondContact O-CB 3.48Å; V820-W824 PolarHBondContact O-N 3.27Å
821	G	95.8	Very high	95.3	Very high	40 Å²	40	33.6 Å²	33.6	41%	0.412	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-8.7	175.7	0	0	0	0	0	115.5	D817 L819	D817-G821 PolarHBondContact O-N 3.15Å; L819-G821 PolarHBondContact O-N 3.08Å
822	A	95.4	Very high	95.3	Very high	49 Å²	49	31.6 Å²	31.6	41%	0.405	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.2	173	0	0	0	0	0	113.9	Q632 L819 V820	Q632-A822 PolarHBondContact OE1-O 2.89Å; L819-A822 WeakPolarHBondContact O-CB 3.49Å; L819-A822 PolarHBondContact O-N 3.07Å; L819-A822 VanDerWaalsContact O-N 3.1Å; V820-A822 PolarHBondContact O-N 2.98Å; V820-A822 VanDerWaalsContact O-N 3.08Å
823	F	96.8	Very high	95.2	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-12.9	177.4	-75.3	-88.1	0	0	0	113.5	Q632 T634 A730 R746 L748 L819 V820	Q632-F823 WeakPolarHBondContact CB-O 3.19Å; Q632-F823 PolarHBondContact N-O 3.11Å; T634-F823 HydrophobicContact CG2-CD1 3.83Å; T634-F823 HydrophobicContact CG2-CE1 3.93Å; A730-F823 HydrophobicContact CB-CE2 3.71Å; A730-F823 HydrophobicContact CB-CZ 3.62Å; R746-F823 HydrophobicContact CB-CE1 3.96Å; R746-F823 HydrophobicContact CB-CZ 4.23Å; L748-F823 HydrophobicContact CB-CD1 4.31Å; L748-F823 HydrophobicContact CB-CD2 3.76Å; L748-F823 HydrophobicContact CB-CE1 4.45Å; L748-F823 HydrophobicContact CB-CE2 3.91Å; L748-F823 HydrophobicContact CB-CG 3.96Å; L748-F823 HydrophobicContact CB-CZ 4.26Å; L748-F823 HydrophobicContact CD1-CD2 4.33Å; L748-F823 HydrophobicContact CD1-CE2 4.23Å; L748-F823 HydrophobicContact CD2-CD2 4.16Å; L748-F823 HydrophobicContact CG-CD2 4.3Å; L819-F823 WeakPolarHBondContact O-CD2 3.43Å; V820-F823 PolarHBondContact O-N 3.15Å
824	W	96.6	Very high	95	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.057	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.3	-176.7	-68.2	81	0	0	0	110.9	F567 Y608 A629 M630 P631 G667 V669 V820	F567-W824 HydrophobicContact CD1-CG 4.5Å; F567-W824 HydrophobicContact CE1-CB 4.1Å; F567-W824 AromaticContact CE1-CD1 3.95Å; F567-W824 AromaticContact CE1-CD2 3.47Å; F567-W824 HydrophobicContact CE1-CD2 3.47Å; F567-W824 VanDerWaalsContact CE1-CD2 3.47Å; F567-W824 AromaticContact CE1-CE2 3.89Å; F567-W824 AromaticContact CE1-CE3 3.81Å; F567-W824 HydrophobicContact CE1-CE3 3.81Å; F567-W824 AromaticContact CE1-CG 3.57Å; F567-W824 HydrophobicContact CE1-CG 3.57Å; F567-W824 AromaticContact CZ-CD2 3.6Å; F567-W824 HydrophobicContact CZ-CD2 3.6Å; F567-W824 AromaticContact CZ-CE2 3.71Å; F567-W824 AromaticContact CZ-CE3 3.68Å; F567-W824 HydrophobicContact CZ-CE3 3.68Å; F567-W824 HydrophobicContact CZ-CG 4.2Å; F567-W824 HydrophobicContact CZ-CH2 4.09Å; F567-W824 AromaticContact CZ-CZ2 3.96Å; F567-W824 HydrophobicContact CZ-CZ2 3.96Å; F567-W824 AromaticContact CZ-CZ3 3.94Å; F567-W824 HydrophobicContact CZ-CZ3 3.94Å; Y608-W824 AromaticContact CD2-CH2 3.53Å; Y608-W824 HydrophobicContact CD2-CH2 3.53Å; Y608-W824 HydrophobicContact CD2-CZ2 4.47Å; Y608-W824 AromaticContact CD2-CZ3 3.73Å; Y608-W824 HydrophobicContact CD2-CZ3 3.73Å; Y608-W824 AromaticContact CE2-CH2 3.47Å; Y608-W824 HydrophobicContact CE2-CH2 3.47Å; Y608-W824 VanDerWaalsContact CE2-CH2 3.47Å; Y608-W824 HydrophobicContact CE2-CZ2 4.17Å; Y608-W824 HydrophobicContact CE2-CZ3 4.16Å; A629-W824 HydrophobicContact CB-CE3 4.13Å; A629-W824 WeakPolarHBondContact O-CZ3 3.32Å; M630-W824 CarbonylContact O-C 3.53Å; M630-W824 VanDerWaalsContact O-CA 3.29Å; M630-W824 WeakPolarHBondContact O-CA 3.35Å; P631-W824 HydrophobicContact CB-CD2 4.42Å; P631-W824 HydrophobicContact CB-CE3 4.2Å; P631-W824 HydrophobicContact CB-CH2 3.87Å; P631-W824 HydrophobicContact CB-CZ2 4.15Å; P631-W824 HydrophobicContact CB-CZ3 3.93Å; P631-W824 HydrophobicContact CG-CH2 4.3Å; P631-W824 HydrophobicContact CG-CZ3 4.21Å; G667-W824 VanDerWaalsContact O-CZ2 3.26Å; G667-W824 WeakPolarHBondContact O-CZ2 3.37Å; V669-W824 HydrophobicContact CG2-CZ2 4.19Å; V820-W824 HydrophobicContact CG1-CB 4.14Å; V820-W824 HydrophobicContact CG1-CG 4.22Å; V820-W824 WeakPolarHBondContact O-CB 3.48Å; V820-W824 PolarHBondContact O-N 3.27Å
825	V	94.8	Very high	94.6	Very high	60 Å²	60	41.6 Å²	41.6	36%	0.364	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.6	166.7	178.9	0	0	0	0	107.9	M630 Q632 G827	M630-V825 HydrophobicContact CB-CB 4.47Å; M630-V825 HydrophobicContact CE-CB 4.09Å; M630-V825 HydrophobicContact CE-CG1 3.71Å; M630-V825 PolarHBondContact N-O 2.91Å; M630-V825 PolarHBondContact O-N 2.75Å; Q632-V825 HydrophobicContact CG-CG2 3.71Å; V825-G827 PolarHBondContact O-N 3.16Å
826	I	91.8	Very high	94.1	Very high	44 Å²	44	41.7 Å²	41.7	23%	0.226	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122	159.6	-55.9	-51.3	0	0	0	107.3	F567 L570 T571 A629	F567-I826 HydrophobicContact CB-CD1 4.2Å; L570-I826 HydrophobicContact CB-CD1 4.15Å; L570-I826 HydrophobicContact CB-CG1 3.83Å; T571-I826 HydrophobicContact CG2-CG2 3.94Å; T571-I826 WeakPolarHBondContact OG1-CG2 3.19Å; A629-I826 HydrophobicContact CB-CD1 4.13Å
827	G	84.3	Confident	93.6	Very high	34 Å²	34	41.8 Å²	41.8	35%	0.351	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-119.7	174.7	0	0	0	0	0	111.4	W628 V825	W628-G827 PolarHBondContact O-N 3.4Å; V825-G827 PolarHBondContact O-N 3.16Å
828	D	91.3	Very high	93.1	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	162.5	-173.2	-169.1	19	0	0	0	112.2	W628 W848	W628-D828 PolarHBondContact N-O 3.35Å; D828-W848 HydrophobicContact CB-CZ2 3.65Å; D828-W848 PolarHBondContact OD2-NE1 3.17Å
829	L	94.8	Very high	92.6	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127	-174.3	175.3	64.2	0	0	0	110.2	T571 L575 L625 L627 V840	T571-L829 HydrophobicContact CG2-CB 4.25Å; T571-L829 HydrophobicContact CG2-CD1 3.87Å; T571-L829 HydrophobicContact CG2-CD2 3.98Å; T571-L829 HydrophobicContact CG2-CG 4.25Å; L575-L829 HydrophobicContact CD2-CD2 3.98Å; L625-L829 HydrophobicContact CB-CD1 3.9Å; L625-L829 HydrophobicContact CD1-CD1 4.11Å; L625-L829 HydrophobicContact CD1-CD2 4.39Å; L627-L829 HydrophobicContact CB-CD1 4.27Å; L829-V840 HydrophobicContact CD2-CG2 3.98Å; L829-V840 HydrophobicContact CG-CG1 4.47Å; L829-V840 HydrophobicContact CG-CG2 4.32Å
830	C	96.4	Very high	92.3	Very high	1 Å²	1	44 Å²	44	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.2	178.5	70.5	0	0	0	0	112.1	L625 E626 G841 C843 T846 W848	L625-C830 CarbonylContact C-O 3.43Å; L625-C830 VanDerWaalsContact CA-O 3.24Å; L625-C830 WeakPolarHBondContact CA-O 3.42Å; E626-C830 PolarHBondContact N-O 3.05Å; E626-C830 PolarHBondContact O-N 3.19Å; C830-G841 CarbonylContact C-O 3.55Å; C830-G841 VanDerWaalsContact CA-O 3.31Å; C830-G841 WeakPolarHBondContact CA-O 3.36Å; C830-G841 WeakPolarHBondContact CB-O 3.26Å; C830-C843 HydrophobicContact CB-CB 3.85Å; C830-C843 WeakPolarHBondContact CB-SG 3.37Å; C830-C843 WeakPolarHBondContact SG-CA 3.42Å; C830-C843 WeakPolarHBondContact SG-CB 3.29Å; C830-C843 CovalentContact SG-SG 2.04Å; C830-C843 PolarHBondContact SG-SG 2.93Å; C830-T846 HydrophobicContact CB-CG2 3.97Å; C830-W848 HydrophobicContact CB-CH2 4.15Å; C830-W848 HydrophobicContact CB-CZ2 4.07Å; C830-W848 VanDerWaalsContact SG-CH2 3.53Å
831	S	96.4	Very high	92.2	Very high	1 Å²	1	46 Å²	46	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.1	171.3	-171.7	0	0	0	0	110.7	T624 L625 K833 G841 L842 C843	T624-S831 PolarHBondContact O-OG 3.14Å; L625-S831 VanDerWaalsContact CD2-CB 3.5Å; S831-K833 WeakPolarHBondContact CB-O 3.24Å; S831-K833 PolarHBondContact O-N 3.35Å; S831-K833 PolarHBondContact OG-O 3.35Å; S831-G841 PolarHBondContact N-O 3.02Å; S831-L842 WeakPolarHBondContact O-CA 3.28Å; S831-C843 PolarHBondContact O-N 3.26Å; S831-C843 PolarHBondContact O-SG 3.34Å; S831-C843 VanDerWaalsContact O-SG 3.41Å
832	A	95.1	Very high	92.3	Very high	34 Å²	34	46.6 Å²	46.6	28%	0.281	30%	0.296	S	S	.	.	S	Bend	trans	-71.1	-13.4	179.1	0	0	0	0	0	112.9	T624 L851	T624-A832 HydrophobicContact CG2-CB 4.21Å; T624-A832 PolarHBondContact O-N 2.86Å; A832-L851 HydrophobicContact CB-CD1 3.66Å
833	K	93.9	Very high	92.4	Very high	168 Å²	168	44.3 Å²	44.3	73%	0.73	28%	0.277	S	S	*	.	S	Bend	trans	-139.8	176.4	174.4	-64.8	-176.6	-178.6	176.5	0	108.6	S831 S835 L842	S831-K833 WeakPolarHBondContact CB-O 3.24Å; S831-K833 PolarHBondContact O-N 3.35Å; S831-K833 PolarHBondContact OG-O 3.35Å; K833-S835 PolarHBondContact O-N 2.87Å; K833-S835 VanDerWaalsContact O-N 3.16Å; K833-L842 WeakPolarHBondContact O-CD2 3.45Å
834	T	90.4	Very high	92.4	Very high	123 Å²	123	47.4 Å²	47.4	76%	0.755	30%	0.297	S	S	*	.			trans	-60.7	119.8	176	-48	0	0	0	0	110.2
835	S	89.2	Confident	92.4	Very high	22 Å²	22	55 Å²	55	15%	0.154	33%	0.331	C	S	.	.			trans	-79.7	157	179.9	-170.1	0	0	0	0	112.1	E623 K833 C837	E623-S835 WeakPolarHBondContact OE2-CA 3.47Å; E623-S835 WeakPolarHBondContact OE2-CB 3.47Å; E623-S835 PolarHBondContact OE2-OG 3.13Å; K833-S835 PolarHBondContact O-N 2.87Å; K833-S835 VanDerWaalsContact O-N 3.16Å; S835-C837 VanDerWaalsContact C-N 3.26Å; S835-C837 PolarHBondContact OG-N 2.75Å
836	S	86.2	Confident	92.5	Very high	47 Å²	47	53.2 Å²	53.2	33%	0.329	32%	0.32	S	S	.	.	S	Bend	trans	-71.1	-20.4	161.4	50.6	0	0	0	0	113.4	E623	E623-S836 WeakPolarHBondContact OE1-CB 3.22Å; E623-S836 PolarHBondContact OE1-N 2.67Å; E623-S836 PolarHBondContact OE1-OG 3.43Å
837	C	87.9	Confident	92.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.014	34%	0.342	C	S	.	.	S	Bend	trans	-88	115.3	173.5	180	0	0	0	0	111.2	C585 F587 S835 A839 V840	C585-C837 HydrophobicContact CB-CB 3.87Å; C585-C837 WeakPolarHBondContact CB-SG 3.22Å; C585-C837 VanDerWaalsContact SG-CA 3.53Å; C585-C837 WeakPolarHBondContact SG-CB 3.23Å; C585-C837 CovalentContact SG-SG 2.04Å; C585-C837 PolarHBondContact SG-SG 3.42Å; F587-C837 HydrophobicContact CE2-CB 3.83Å; F587-C837 HydrophobicContact CZ-CB 3.76Å; S835-C837 VanDerWaalsContact C-N 3.26Å; S835-C837 PolarHBondContact OG-N 2.75Å; C837-A839 PolarHBondContact O-N 3.33Å; C837-V840 HydrophobicContact CB-CB 4.33Å; C837-V840 HydrophobicContact CB-CG2 4.04Å; C837-V840 PolarHBondContact O-N 3.29Å; C837-V840 VanDerWaalsContact O-N 3.11Å
838	S	86.6	Confident	93.3	Very high	118 Å²	118	55.2 Å²	55.2	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.6	179.6	53.3	0	0	0	0	114.4	V840	S838-V840 VanDerWaalsContact C-N 3.34Å
839	A	87.1	Confident	93.6	Very high	44 Å²	44	51.3 Å²	51.3	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.5	176.1	0	0	0	0	0	114	Q579 C837	Q579-A839 HydrophobicContact CG-CB 3.76Å; C837-A839 PolarHBondContact O-N 3.33Å
840	V	91.7	Very high	93.8	Very high	13 Å²	13	51 Å²	51	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-99.9	110.4	-177	176.3	0	0	0	0	110.4	L575 L625 L829 C837 S838	L575-V840 HydrophobicContact CD1-CG2 4.46Å; L575-V840 HydrophobicContact CD2-CG2 4.21Å; L625-V840 HydrophobicContact CD2-CG1 4.11Å; L829-V840 HydrophobicContact CD2-CG2 3.98Å; L829-V840 HydrophobicContact CG-CG1 4.47Å; L829-V840 HydrophobicContact CG-CG2 4.32Å; C837-V840 HydrophobicContact CB-CB 4.33Å; C837-V840 HydrophobicContact CB-CG2 4.04Å; C837-V840 PolarHBondContact O-N 3.29Å; C837-V840 VanDerWaalsContact O-N 3.11Å; S838-V840 VanDerWaalsContact C-N 3.34Å
841	G	94	Very high	93.9	Very high	42 Å²	42	53.6 Å²	53.6	43%	0.433	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	164.4	-179.7	0	0	0	0	0	114.1	C830 S831	C830-G841 CarbonylContact C-O 3.55Å; C830-G841 VanDerWaalsContact CA-O 3.31Å; C830-G841 WeakPolarHBondContact CA-O 3.36Å; C830-G841 WeakPolarHBondContact CB-O 3.26Å; S831-G841 PolarHBondContact N-O 3.02Å
842	L	97.4	Very high	93.9	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.267	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.6	171.6	-75.9	169.1	0	0	0	110.7	S831 K833 T844 K845	S831-L842 WeakPolarHBondContact O-CA 3.28Å; K833-L842 WeakPolarHBondContact O-CD2 3.45Å; L842-T844 PolarHBondContact O-N 2.77Å; L842-T844 VanDerWaalsContact O-N 3.16Å; L842-K845 HydrophobicContact CB-CD 4.34Å; L842-K845 HydrophobicContact CB-CG 4.2Å; L842-K845 HydrophobicContact CD1-CD 4.4Å; L842-K845 WeakPolarHBondContact O-CB 3.44Å; L842-K845 PolarHBondContact O-N 3.29Å
843	C	97.8	Very high	94	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-54.3	-37.7	-180	-70	0	0	0	0	113.7	C830 S831 K845 T846 S849 L851	C830-C843 HydrophobicContact CB-CB 3.85Å; C830-C843 WeakPolarHBondContact CB-SG 3.37Å; C830-C843 WeakPolarHBondContact SG-CA 3.42Å; C830-C843 WeakPolarHBondContact SG-CB 3.29Å; C830-C843 CovalentContact SG-SG 2.04Å; C830-C843 PolarHBondContact SG-SG 2.93Å; S831-C843 PolarHBondContact O-N 3.26Å; S831-C843 PolarHBondContact O-SG 3.34Å; S831-C843 VanDerWaalsContact O-SG 3.41Å; C843-K845 PolarHBondContact O-N 3.24Å; C843-K845 VanDerWaalsContact O-N 3.13Å; C843-T846 PolarHBondContact O-N 3.48Å; C843-T846 VanDerWaalsContact O-N 3.07Å; C843-T846 PolarHBondContact O-OG1 2.97Å; C843-S849 WeakPolarHBondContact CB-OG 3.38Å; C843-L851 HydrophobicContact CB-CB 3.93Å; C843-L851 HydrophobicContact CB-CD1 3.97Å; C843-L851 HydrophobicContact CB-CG 4.49Å
844	T	97.3	Very high	94.2	Very high	77 Å²	77	47 Å²	47	47%	0.472	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-65.2	-11	177.5	54.8	0	0	0	0	114.6	L842 L851	L842-T844 PolarHBondContact O-N 2.77Å; L842-T844 VanDerWaalsContact O-N 3.16Å; T844-L851 WeakPolarHBondContact CA-O 3.44Å; T844-L851 HydrophobicContact CG2-CB 4.42Å; T844-L851 WeakPolarHBondContact CG2-O 3.47Å
845	K	96.3	Very high	94.6	Very high	173 Å²	173	42.8 Å²	42.8	75%	0.752	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-102.2	-4.4	175	-62.3	-173.5	177.8	-176.9	0	113.6	L842 C843	L842-K845 HydrophobicContact CB-CD 4.34Å; L842-K845 HydrophobicContact CB-CG 4.2Å; L842-K845 HydrophobicContact CD1-CD 4.4Å; L842-K845 WeakPolarHBondContact O-CB 3.44Å; L842-K845 PolarHBondContact O-N 3.29Å; C843-K845 PolarHBondContact O-N 3.24Å; C843-K845 VanDerWaalsContact O-N 3.13Å
846	T	96.8	Very high	95	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.147	26%	0.258	C	S	.	.	S	Bend	trans	-81.5	167.4	176.9	71.5	0	0	0	0	111.4	C830 C843 W848 S849 S852	C830-T846 HydrophobicContact CB-CG2 3.97Å; C843-T846 PolarHBondContact O-N 3.48Å; C843-T846 VanDerWaalsContact O-N 3.07Å; C843-T846 PolarHBondContact O-OG1 2.97Å; T846-W848 HydrophobicContact CG2-CZ2 4.11Å; T846-S849 WeakPolarHBondContact OG1-CB 3.42Å; T846-S849 PolarHBondContact OG1-N 3.32Å; T846-S852 WeakPolarHBondContact O-CB 3.36Å
847	T	95.8	Very high	95.5	Very high	111 Å²	111	40 Å²	40	68%	0.681	25%	0.245	S	C	*	.	S	Bend	trans	-98.6	-1.7	172.4	54.1	0	0	0	0	113.7	Y599	Y599-T847 PolarHBondContact OH-O 2.94Å
848	W	97	Very high	96	Very high	8 Å²	8	44.1 Å²	44.1	3%	0.03	26%	0.264	C	S	.	.	S	Bend	trans	-124.9	-25.4	-168.4	60.8	-102.7	0	0	0	114.1	W543 Y599 L609 E626 W628 D828 C830 T846	W543-W848 PolarHBondContact NE1-O 2.85Å; Y599-W848 HydrophobicContact CD1-CB 4.41Å; Y599-W848 HydrophobicContact CE1-CB 3.66Å; L609-W848 HydrophobicContact CD1-CE3 4.44Å; L609-W848 WeakPolarHBondContact CD1-O 3.22Å; L609-W848 HydrophobicContact CD2-CE3 3.73Å; L609-W848 HydrophobicContact CD2-CZ3 4.06Å; E626-W848 HydrophobicContact CG-CZ3 4.36Å; E626-W848 WeakPolarHBondContact O-CH2 3.21Å; W628-W848 HydrophobicContact CB-CD2 4.29Å; W628-W848 HydrophobicContact CB-CE3 3.81Å; W628-W848 HydrophobicContact CB-CH2 4.33Å; W628-W848 HydrophobicContact CB-CZ3 3.84Å; W628-W848 HydrophobicContact CE3-CB 4.09Å; W628-W848 HydrophobicContact CE3-CD2 4.12Å; W628-W848 AromaticContact CE3-CG 3.84Å; W628-W848 HydrophobicContact CE3-CG 3.84Å; W628-W848 HydrophobicContact CG-CE3 4.41Å; W628-W848 HydrophobicContact CZ3-CB 4.29Å; W628-W848 HydrophobicContact CZ3-CG 4.28Å; D828-W848 HydrophobicContact CB-CZ2 3.65Å; D828-W848 PolarHBondContact OD2-NE1 3.17Å; C830-W848 HydrophobicContact CB-CH2 4.15Å; C830-W848 HydrophobicContact CB-CZ2 4.07Å; C830-W848 VanDerWaalsContact SG-CH2 3.53Å; T846-W848 HydrophobicContact CG2-CZ2 4.11Å
849	S	98.3	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-64.2	150.2	-176.5	175.1	0	0	0	0	112.5	E626 C843 T846 L851 S852	E626-S849 VanDerWaalsContact OE2-CA 3.25Å; E626-S849 WeakPolarHBondContact OE2-CA 3.34Å; E626-S849 VanDerWaalsContact OE2-CB 3.29Å; E626-S849 WeakPolarHBondContact OE2-CB 3.11Å; E626-S849 PolarHBondContact OE2-OG 3.35Å; C843-S849 WeakPolarHBondContact CB-OG 3.38Å; T846-S849 WeakPolarHBondContact OG1-CB 3.42Å; T846-S849 PolarHBondContact OG1-N 3.32Å; S849-L851 PolarHBondContact O-N 3.22Å; S849-L851 VanDerWaalsContact O-N 3.17Å; S849-L851 PolarHBondContact OG-N 3.4Å; S849-S852 WeakPolarHBondContact O-CB 3.26Å; S849-S852 PolarHBondContact O-N 3.1Å; S849-S852 PolarHBondContact O-OG 2.99Å
850	S	98	Very high	96.9	Very high	10 Å²	10	39 Å²	39	7%	0.07	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.6	167.7	77.5	0	0	0	0	112.5	R252 E626	R252-S850 PolarHBondContact NH2-O 3.07Å; E626-S850 WeakPolarHBondContact OE1-CB 3.33Å; E626-S850 PolarHBondContact OE1-OG 2.77Å; E626-S850 PolarHBondContact OE2-N 3.27Å; E626-S850 PolarHBondContact OE2-OG 2.98Å
851	L	97.8	Very high	97.2	Very high	56 Å²	56	44.2 Å²	44.2	29%	0.293	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	176.7	-61.1	176.4	0	0	0	113.7	A832 C843 T844 S849	A832-L851 HydrophobicContact CB-CD1 3.66Å; C843-L851 HydrophobicContact CB-CB 3.93Å; C843-L851 HydrophobicContact CB-CD1 3.97Å; C843-L851 HydrophobicContact CB-CG 4.49Å; T844-L851 WeakPolarHBondContact CA-O 3.44Å; T844-L851 HydrophobicContact CG2-CB 4.42Å; T844-L851 WeakPolarHBondContact CG2-O 3.47Å; S849-L851 PolarHBondContact O-N 3.22Å; S849-L851 VanDerWaalsContact O-N 3.17Å; S849-L851 PolarHBondContact OG-N 3.4Å
852	S	97.4	Very high	97.4	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.049	26%	0.259	C	S	.	.	S	Bend	trans	-72	150.2	171.3	66.7	0	0	0	0	111.2	W543 T846 S849	W543-S852 VanDerWaalsContact CZ2-OG 3.31Å; W543-S852 WeakPolarHBondContact CZ2-OG 3.32Å; T846-S852 WeakPolarHBondContact O-CB 3.36Å; S849-S852 WeakPolarHBondContact O-CB 3.26Å; S849-S852 PolarHBondContact O-N 3.1Å; S849-S852 PolarHBondContact O-OG 2.99Å
853	P	97.8	Very high	97.4	Very high	56 Å²	56	47.1 Å²	47.1	36%	0.364	27%	0.265	S	S	.	.			trans	-60.5	138.4	-179.9	-22.8	33.4	0	0	0	112.3	V537 A538 E858	V537-P853 HydrophobicContact CG2-CB 4.05Å; A538-P853 WeakPolarHBondContact CB-O 3.32Å; P853-E858 WeakPolarHBondContact CA-OE1 3.17Å
854	D	98.1	Very high	97.4	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	31%	0.306	C	S	.	.			trans	-134.9	70.3	-178.1	-175.5	18.7	0	0	0	111.5	R252 W543 K856 S857 E858	R252-D854 WeakPolarHBondContact CD-OD2 3.43Å; R252-D854 IonicContact CZ-OD2 2.85Å; R252-D854 IonicContact NE-OD2 3.77Å; R252-D854 VanDerWaalsContact NH1-CB 3.3Å; R252-D854 IonicContact NH1-OD2 3.72Å; R252-D854 PolarHBondContact NH1-OD2 2.98Å; W543-D854 HydrophobicContact CZ3-CB 4.05Å; D854-K856 PolarHBondContact O-N 3.05Å; D854-K856 VanDerWaalsContact OD1-CG 3.27Å; D854-K856 WeakPolarHBondContact OD1-CG 3.26Å; D854-K856 IonicContact OD1-NZ 2.79Å; D854-K856 PolarHBondContact OD1-NZ 3.27Å; D854-S857 VanDerWaalsContact CG-OG 3.28Å; D854-S857 PolarHBondContact O-N 3.17Å; D854-S857 WeakPolarHBondContact OD2-CB 3.2Å; D854-S857 PolarHBondContact OD2-OG 2.98Å; D854-E858 PolarHBondContact N-OE1 3.15Å; D854-E858 WeakPolarHBondContact O-CG 3.44Å; D854-E858 PolarHBondContact O-N 3.41Å
855	P	97.5	Very high	97.3	Very high	33 Å²	33	53 Å²	53	21%	0.214	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.7	-166.7	-26.2	38	0	0	0	115.6	K259 T536	K259-P855 PolarHBondContact NZ-O 3.01Å; T536-P855 HydrophobicContact CG2-CB 3.97Å; T536-P855 HydrophobicContact CG2-CG 3.95Å
856	K	97.5	Very high	97.3	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-21.7	172.9	66.7	176.8	-169.9	-55.9	0	113.8	Y532 A538 I539 A541 D854	Y532-K856 HydrophobicContact CE1-CB 4.32Å; Y532-K856 HydrophobicContact CE2-CB 4.34Å; A538-K856 PolarHBondContact O-NZ 3.28Å; I539-K856 WeakPolarHBondContact O-CD 3.49Å; I539-K856 WeakPolarHBondContact O-CE 3.25Å; I539-K856 PolarHBondContact O-NZ 2.83Å; A541-K856 VanDerWaalsContact O-CE 3.26Å; A541-K856 WeakPolarHBondContact O-CE 3.5Å; A541-K856 PolarHBondContact O-NZ 3.36Å; D854-K856 PolarHBondContact O-N 3.05Å; D854-K856 VanDerWaalsContact OD1-CG 3.27Å; D854-K856 WeakPolarHBondContact OD1-CG 3.26Å; D854-K856 IonicContact OD1-NZ 2.79Å; D854-K856 PolarHBondContact OD1-NZ 3.27Å
857	S	97.7	Very high	97.4	Very high	7 Å²	7	44.5 Å²	44.5	5%	0.049	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-14.9	175.6	82.5	0	0	0	0	113.8	R252 R255 D854	R252-S857 WeakPolarHBondContact O-CB 3.39Å; R255-S857 WeakPolarHBondContact CB-O 3.17Å; R255-S857 VanDerWaalsContact CD-O 3.31Å; R255-S857 WeakPolarHBondContact CD-O 3.32Å; D854-S857 VanDerWaalsContact CG-OG 3.28Å; D854-S857 PolarHBondContact O-N 3.17Å; D854-S857 WeakPolarHBondContact OD2-CB 3.2Å; D854-S857 PolarHBondContact OD2-OG 2.98Å
858	E	97.6	Very high	97.4	Very high	89 Å²	89	39.6 Å²	39.6	42%	0.416	23%	0.233	S	C	.	.			trans	-62.4	135.5	169.2	-73.3	163.6	-166.2	0	0	111.9	K259 P853 D854	K259-E858 WeakPolarHBondContact CD-O 3.41Å; K259-E858 WeakPolarHBondContact CE-O 3.15Å; K259-E858 PolarHBondContact NZ-O 2.78Å; P853-E858 WeakPolarHBondContact CA-OE1 3.17Å; D854-E858 PolarHBondContact N-OE1 3.15Å; D854-E858 WeakPolarHBondContact O-CG 3.44Å; D854-E858 PolarHBondContact O-N 3.41Å
859	L	97.8	Very high	97.4	Very high	28 Å²	28	40.9 Å²	40.9	15%	0.147	24%	0.238	C	C	.	.			trans	-101.9	133.1	173.7	-56.1	-174.5	0	0	0	108.7	R255 K259 I286 Y290 I868	R255-L859 HydrophobicContact CB-CD1 4.43Å; R255-L859 HydrophobicContact CB-CD2 4.1Å; R255-L859 HydrophobicContact CB-CG 4.18Å; R255-L859 HydrophobicContact CG-CD1 4.13Å; R255-L859 HydrophobicContact CG-CG 4.2Å; R255-L859 WeakPolarHBondContact O-CD2 3.38Å; K259-L859 HydrophobicContact CB-CD2 3.9Å; K259-L859 HydrophobicContact CG-CD2 4.39Å; I286-L859 HydrophobicContact CB-CD1 4.44Å; I286-L859 HydrophobicContact CD1-CD1 4.33Å; I286-L859 HydrophobicContact CG1-CD1 3.94Å; I286-L859 HydrophobicContact CG2-CD1 3.72Å; Y290-L859 HydrophobicContact CE2-CB 4.18Å; Y290-L859 HydrophobicContact CE2-CD1 4.12Å; Y290-L859 WeakPolarHBondContact OH-CB 3.2Å; L859-I868 HydrophobicContact CD2-CD1 4.1Å
860	G	95.6	Very high	97.3	Very high	28 Å²	28	42.9 Å²	42.9	29%	0.289	25%	0.25	S	S	.	.			trans	-128	176.4	-171.7	0	0	0	0	0	113.1	Y290 I868	Y290-G860 PolarHBondContact OH-N 2.75Å; Y290-G860 PolarHBondContact OH-O 3.37Å; G860-I868 VanDerWaalsContact O-CG2 3.27Å; G860-I868 WeakPolarHBondContact O-CG2 3.45Å
861	P	97.6	Very high	97.3	Very high	122 Å²	122	44.6 Å²	44.6	79%	0.792	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-58.2	146	-178.3	26.2	-35.4	0	0	0	112	K863	P861-K863 PolarHBondContact O-N 2.93Å
862	V	98.3	Very high	97.2	Very high	60 Å²	60	44 Å²	44	36%	0.364	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-63.4	123.8	178.3	-174.6	0	0	0	0	109.9	Y262 R264 Y290 I868	Y262-V862 HydrophobicContact CE1-CG1 4.2Å; Y262-V862 HydrophobicContact CE1-CG2 3.77Å; R264-V862 HydrophobicContact CB-CG1 4.4Å; Y290-V862 HydrophobicContact CD1-CG2 4.03Å; Y290-V862 HydrophobicContact CE1-CG2 3.94Å; V862-I868 HydrophobicContact CB-CG2 4.5Å; V862-I868 HydrophobicContact CG2-CG2 4.18Å
863	K	98	Very high	97.2	Very high	93 Å²	93	46.2 Å²	46.2	40%	0.404	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-71.9	169.5	-180	-64.6	175.1	-175.2	178.4	0	111.8	R264 P861 D865 G866 R867 R869	R264-K863 PolarHBondContact NH2-O 3.13Å; P861-K863 PolarHBondContact O-N 2.93Å; K863-D865 WeakPolarHBondContact CB-OD1 3.34Å; K863-D865 PolarHBondContact O-N 3Å; K863-G866 PolarHBondContact O-N 3.41Å; K863-R867 WeakPolarHBondContact CB-O 3.32Å; K863-R867 WeakPolarHBondContact CG-O 3.33Å; K863-R867 PolarHBondContact N-O 3.34Å; K863-R869 PolarHBondContact NZ-O 2.7Å; K863-R869 PolarHBondContact NZ-OXT 2.78Å
864	S	97.1	Very high	97.2	Very high	123 Å²	123	45.6 Å²	45.6	86%	0.86	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26	178.4	48.8	0	0	0	0	114.5	R264	R264-S864 PolarHBondContact NH2-O 2.76Å
865	D	95	Very high	97.1	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.2	172.9	60.8	8.2	0	0	0	113.8	H263 K863 R867	H263-D865 VanDerWaalsContact NE2-C 3.33Å; H263-D865 PolarHBondContact NE2-O 2.99Å; K863-D865 WeakPolarHBondContact CB-OD1 3.34Å; K863-D865 PolarHBondContact O-N 3Å; D865-R867 VanDerWaalsContact OD1-CB 3.32Å; D865-R867 WeakPolarHBondContact OD1-CB 3.44Å; D865-R867 PolarHBondContact OD1-N 3.21Å
866	G	96.8	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	91.6	4.8	-175.8	0	0	0	0	0	115.2	H263 R264 K863	H263-G866 CarbonylContact C-O 3.32Å; H263-G866 WeakPolarHBondContact CA-O 3.35Å; R264-G866 PolarHBondContact N-O 2.88Å; R264-G866 VanDerWaalsContact NE-CA 3.32Å; K863-G866 PolarHBondContact O-N 3.41Å
867	R	97.9	Very high	97.1	Very high	17 Å²	17	53.1 Å²	53.1	6%	0.064	31%	0.307	C	S	.	.			trans	-98	170.7	-179.6	-55.5	-75.3	-74.6	156.6	-5.1	111.1	A260 Y262 Y529 K863 D865	A260-R867 PolarHBondContact O-NH1 2.93Å; A260-R867 PolarHBondContact O-NH2 3.21Å; Y262-R867 WeakPolarHBondContact O-CD 3.48Å; Y262-R867 PolarHBondContact O-NH1 2.92Å; Y529-R867 PolarHBondContact OH-NH2 3.49Å; K863-R867 WeakPolarHBondContact CB-O 3.32Å; K863-R867 WeakPolarHBondContact CG-O 3.33Å; K863-R867 PolarHBondContact N-O 3.34Å; D865-R867 VanDerWaalsContact OD1-CB 3.32Å; D865-R867 WeakPolarHBondContact OD1-CB 3.44Å; D865-R867 PolarHBondContact OD1-N 3.21Å
868	I	97.1	Very high	97	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.041	33%	0.328	C	S	.	.			trans	-130.5	-14.4	169.6	56.6	171.8	0	0	0	113.8	K259 Y262 Y290 L859 G860 V862	K259-I868 WeakPolarHBondContact CE-O 3.37Å; K259-I868 HydrophobicContact CG-CG1 4.17Å; Y262-I868 HydrophobicContact CD1-CB 4.42Å; Y262-I868 HydrophobicContact CD1-CD1 4.08Å; Y262-I868 HydrophobicContact CD1-CG1 3.77Å; Y262-I868 HydrophobicContact CD1-CG2 4Å; Y262-I868 HydrophobicContact CD2-CD1 4.27Å; Y262-I868 HydrophobicContact CE1-CG2 4.18Å; Y262-I868 HydrophobicContact CG-CD1 3.77Å; Y262-I868 HydrophobicContact CG-CG1 3.83Å; Y290-I868 HydrophobicContact CE1-CD1 4.34Å; Y290-I868 HydrophobicContact CE1-CG2 4.11Å; L859-I868 HydrophobicContact CD2-CD1 4.1Å; G860-I868 VanDerWaalsContact O-CG2 3.27Å; G860-I868 WeakPolarHBondContact O-CG2 3.45Å; V862-I868 HydrophobicContact CB-CG2 4.5Å; V862-I868 HydrophobicContact CG2-CG2 4.18Å
869	R	95.8	Very high	97	Very high	35 Å²	35	54 Å²	54	13%	0.132	32%	0.32	C	S	.	.			trans	-75.9	0	159.8	178.3	55	175.5	74.9	0.8	109.8	K259 D525 Y529 G530 Y532 K863	K259-R869 HydrophobicContact CG-CB 4.01Å; K259-R869 WeakPolarHBondContact O-CB 3.18Å; D525-R869 IonicContact OD1-NE 2.61Å; D525-R869 PolarHBondContact OD1-NE 3.07Å; D525-R869 IonicContact OD2-CZ 2.8Å; D525-R869 VanDerWaalsContact OD2-CZ 3.31Å; D525-R869 IonicContact OD2-NE 2.71Å; D525-R869 PolarHBondContact OD2-NE 3.05Å; D525-R869 IonicContact OD2-NH2 3.9Å; D525-R869 PolarHBondContact OD2-NH2 2.72Å; Y529-R869 VanDerWaalsContact CB-CZ 3.45Å; Y529-R869 HydrophobicContact CD1-CG 4.48Å; Y529-R869 HydrophobicContact CD2-CG 3.81Å; Y529-R869 HydrophobicContact CG-CG 3.71Å; Y529-R869 PolarHBondContact O-NH1 3.05Å; Y529-R869 PolarHBondContact O-NH2 3.36Å; G530-R869 PolarHBondContact O-NH2 3.32Å; Y532-R869 WeakPolarHBondContact OH-CD 2.91Å; Y532-R869 PolarHBondContact OH-NE 3.19Å; K863-R869 PolarHBondContact NZ-O 2.7Å; K863-R869 PolarHBondContact NZ-OXT 2.78Å

Retrieved 869 of 869 residues in 240.8 ms (Link to these results)

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